Home Cart Sign in  
Chemical Structure| 53903-49-4 Chemical Structure| 53903-49-4

Structure of 53903-49-4

Chemical Structure| 53903-49-4

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 53903-49-4 ]

CAS No. :53903-49-4
Formula : C8H8F3NO
M.W : 191.15
SMILES Code : NC1=CC=C(OC)C=C1C(F)(F)F
MDL No. :MFCD04972660
Boiling Point : No data available
InChI Key :BTRQZDUCUGJMPS-UHFFFAOYSA-N
Pubchem ID :22601721

Safety of [ 53903-49-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Computational Chemistry of [ 53903-49-4 ] Show Less

Physicochemical Properties

Num. heavy atoms 13
Num. arom. heavy atoms 6
Fraction Csp3 0.25
Num. rotatable bonds 2
Num. H-bond acceptors 4.0
Num. H-bond donors 1.0
Molar Refractivity 42.34
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

35.25 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

1.85
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

1.75
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

3.46
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

2.22
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

2.13
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

2.28

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-2.34
Solubility 0.879 mg/ml ; 0.0046 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-2.11
Solubility 1.49 mg/ml ; 0.00781 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-3.06
Solubility 0.168 mg/ml ; 0.000881 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

High
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

Yes
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

No
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

Yes
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

No
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

No
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-6.22 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

0.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

0.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

1.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.55

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

1.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

No; 1 violation:MW<1.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

1.33

Application In Synthesis of [ 53903-49-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 53903-49-4 ]

[ 53903-49-4 ] Synthesis Path-Downstream   1~35

  • 1
  • [ 53903-49-4 ]
  • [ 18906-41-7 ]
  • 3
  • [ 26260-02-6 ]
  • [ 53903-49-4 ]
  • [1-(2-Iodo-phenyl)-meth-(E)-ylidene]-(4-methoxy-2-trifluoromethyl-phenyl)-amine [ No CAS ]
  • 4
  • [ 344-39-8 ]
  • [ 53903-49-4 ]
YieldReaction ConditionsOperation in experiment
100% With nitrogen; hydrogen;palladium; In ethanol; (b) 4-Methoxy-2-(alpha,alpha,alpha-trifluoromethyl)aniline prepared by aminating 4-methoxy-2-(alpha,alpha,alpha-trifluoromethyl)nitrobenzene as follows: In a 300 ml stainless steel autoclave was placed a solution of 25.0 g (0.11 mole) of 4-methoxy-2-(alpha,alpha, alpha-trifluoromethyl)nitrobenzene in 150 ml of 95% ethanol. After flushing with nitrogen, 1.1 g of 5% palladium on carbon was added and the autoclave sealed. After flushing with nitrogen, the reactor was charged with 60 psi (413 kPa) of hydrogen and stirred. Gas uptake began immediately and the temperature was maintained between 25 C. and 30 C. by occasional cooling with an ice bath. After approximately ninety minutes, the gas uptake had ceased. The autoclave was vented, flushed with nitrogen and opened. The catalyst was filtered off and the filtrate was concentrated under reduced pressure to afford 22 g (100% yield) of a light yellow oil which was shown to be 4-methoxy-2-(alpha,alpha,alpha-trifluoromethyl)aniline. 1 H NMR analysis indicated: (delta, CDClz) 7.82 (dd, J= 2 and 9 Hz, 1H), 7.00 (d, J=2 Hz, 1H), 6.48 (d, J=9 Hz, 1H), 3.87 (br s, 2H) and 3.60 (s, 3H). Mass spectrum analysis indicated: (m/e) 191 (M+), 176, 156, 128 and 52. It was used directly in the next step without purification.
99% With palladium 10% on activated carbon; hydrogen; In methanol; water; ethyl acetate; at 20℃; 4-methoxy-1-nitro-2-(trifluoromethyl)benzene (9.0 g, 40.7 mmol)Soluble in ethyl acetate (50 mL) and methanol (100 mL),Add 10% palladium on carbon (1.2g, 50% water),With hydrogen balloon,Stir at room temperature overnight.Filter after the reaction,The filtrate was concentrated under reduced pressure to give a yellow oil (7.7 g, 99.0%).Used directly for the next step.
With hydrogen;5%-palladium/activated carbon; In ethanol; at 20℃; for 2.5h; 4-Methoxy-2-trifluoromethylaniline; A mixture of 4-methoxy-1-nitro-2-trifluoromethyl-benzene (4.9 g, 22.2 mmol) and 5% palladium on carbon (210 mg) in EtOH (28 mL) is stirred for 2.5 h at RT, under a hydrogen atmosphere. The resulting suspension is filtered through a pad of celite. The filtrate is concentrated in vacuo to afford the title compound: ES-MS: 192.0 [M] + ; single peak at tR= 3.55 min (System 2)
With hydrazine hydrate;raney Ni; In methanol; at 20℃; Step-2:-Preperation of 4-methoxy-2-trifluoromethyl-phenylamine:-To a solution of 4-methoxy- 1 -nitro-2-trifluoromethyl-benzene (1.0 g, 4.52 mmol) in methanol (5-7 mL) was drop wise added raney Ni (cat. amount) and hydrazine hydrate (1 mL). The reaction mass was stirred at RT for 2-3 hours. The reaction mass was quenched in water and the filtrate was concentrated to afford 0.400 g of desired product. 'HNMR (DMSO- 6): delta 3.67 (s, 3H), 5.09 (s, 2H), 6.79-6.85 (m, 2H), 6.96 (d, / = 6.9 Hz, 1H).

  • 5
  • [ 53903-49-4 ]
  • [ 104-87-0 ]
  • (4-Methoxy-2-trifluoromethyl-phenyl)-[1-p-tolyl-meth-(E)-ylidene]-amine [ No CAS ]
  • 6
  • [ 53903-49-4 ]
  • [ 104-88-1 ]
  • [1-(4-Chloro-phenyl)-meth-(E)-ylidene]-(4-methoxy-2-trifluoromethyl-phenyl)-amine [ No CAS ]
  • 7
  • [ 53903-49-4 ]
  • [ 89-98-5 ]
  • [1-(2-Chloro-phenyl)-meth-(E)-ylidene]-(4-methoxy-2-trifluoromethyl-phenyl)-amine [ No CAS ]
  • 8
  • [ 53903-49-4 ]
  • [ 100-52-7 ]
  • benzylidene(4-methoxy-2-trifluoromethyl)aniline [ No CAS ]
  • 9
  • [ 53903-49-4 ]
  • [ 123-11-5 ]
  • [1-(4-Methoxy-phenyl)-meth-(E)-ylidene]-(4-methoxy-2-trifluoromethyl-phenyl)-amine [ No CAS ]
  • 10
  • [ 53903-49-4 ]
  • [ 630-19-3 ]
  • [2,2-Dimethyl-prop-(E)-ylidene]-(4-methoxy-2-trifluoromethyl-phenyl)-amine [ No CAS ]
  • 11
  • [ 53903-49-4 ]
  • [ 6630-33-7 ]
  • [1-(2-Bromo-phenyl)-meth-(E)-ylidene]-(4-methoxy-2-trifluoromethyl-phenyl)-amine [ No CAS ]
  • 12
  • [ 98-17-9 ]
  • [ 53903-49-4 ]
  • 14
  • [ 53903-49-4 ]
  • (E)-5-(4-Methoxy-2-trifluoromethyl-phenylamino)-2,6,6-trimethyl-hept-2-enal [ No CAS ]
  • 15
  • [ 53903-49-4 ]
  • N-(4-methoxy-2-trifluoromethylphenyl)-5-amino-2-methyl-5-phenylpent-2-en-1-al [ No CAS ]
  • 16
  • [ 53903-49-4 ]
  • N-(4-methoxy-2-trifluoromethylphenyl)-5-amino-2-ethyl-5-phenylpent-2-en-1-al [ No CAS ]
  • 17
  • [ 53903-49-4 ]
  • (E)-6-(4-Methoxy-2-trifluoromethyl-phenylamino)-3-methyl-6-phenyl-hex-3-en-2-one [ No CAS ]
  • 18
  • [ 53903-49-4 ]
  • 5-(4-methoxy-2-trifluoromethyl-phenylamino)-2-methyl-5-<i>p</i>-tolyl-pent-2-enal [ No CAS ]
  • 19
  • [ 53903-49-4 ]
  • (E)-5-(4-Methoxy-2-trifluoromethyl-phenylamino)-2-methyl-5-phenyl-pent-2-en-1-ol [ No CAS ]
  • 20
  • [ 53903-49-4 ]
  • (E)-5-(4-Chloro-phenyl)-5-(4-methoxy-2-trifluoromethyl-phenylamino)-2-methyl-pent-2-enal [ No CAS ]
  • 21
  • [ 53903-49-4 ]
  • (E)-5-(4-Methoxy-phenyl)-5-(4-methoxy-2-trifluoromethyl-phenylamino)-2-methyl-pent-2-enal [ No CAS ]
  • 22
  • [ 53903-49-4 ]
  • (E)-5-(2-Bromo-phenyl)-5-(4-methoxy-2-trifluoromethyl-phenylamino)-2-methyl-pent-2-enal [ No CAS ]
  • 23
  • [ 53903-49-4 ]
  • (E)-5-(2-Chloro-phenyl)-5-(4-methoxy-2-trifluoromethyl-phenylamino)-2-methyl-pent-2-enal [ No CAS ]
  • 24
  • [ 53903-49-4 ]
  • (E)-5-(2-Iodo-phenyl)-5-(4-methoxy-2-trifluoromethyl-phenylamino)-2-methyl-pent-2-enal [ No CAS ]
  • 25
  • [ 123-56-8 ]
  • [ 75-18-3 ]
  • [ 53903-49-4 ]
  • [ 107-06-2 ]
  • [ 126312-64-9 ]
YieldReaction ConditionsOperation in experiment
95% With sodium hydroxide; N-chloro-succinimide; In dichloromethane; (c) 4-Methoxy-6-(methylthiomethyl)-2-(alpha,alpha,alpha-trifluoromethyl)aniline was prepared by substituting 4-methoxy-2-(alpha,alpha,alpha-trifluoromethyl)aniline as follows: In a 250 ml three-necked flask equipped with an overhead stirrer was placed 20.12 g (0.105 mol) of 4-methoxy-2-(alpha,alpha,alpha-trifluoromethyl)aniline in 100 ml of methylene chloride. To the solution was then added 15.63 g (0.117 mol) of N-chlorosuccinimide was added with vigorous stirring. After cooling to 0 C. under a nitrogen atmosphere, a solution of 9.2 ml (8.02 g, 0.129 mol) dimethylsulfide in 40 ml of methylene chloride was then added over a one hour period while maintaining the temperature below 5 C. The reaction mixture became very thick. The ice bath was removed and after stirring at room temperature for one hour, 200 ml of ice cold 5% aqueous sodium hydroxide solution was added. The methylene chloride layer was separated, dried over anhydrous potassium carbonate, filtered and the solvent removed under reduced pressure. To the residue was then added 60 ml of 1,2-dichloroethane and 1.00 g (10 mmol) of succinimide. After refluxing for twelve hours under a nitrogen atmosphere, the reaction mixture was cooled, washed twice with 100 ml of 5% sodium hydroxide solution, dried with magnesium sulfate, filtered and concentrated under reduced pressure to afford 24.9 g of a black oil. This was distilled under reduced pressure to afford 16.5 g (63% yield) of the desired product as a clear, colorless liquid (Bp 106-110 at 0.35 mm Hg) of 95% purity as assayed by gas chromatography; 1 H NMR analysis indicated: (delta, CDCl3) 6.94 (d, J=1.8 Hz, 1H), 6.78 (d, J=1.8 Hz, 1H), 4.32 (br s, 2H, NHz), 3.54 (s, 3H), 3.51 (s, 2H) and 1.82 (s, 3H). Mass spectrum analysis indicated: (m/e) 251 (M+), 204 (100%) and 181.
  • 27
  • [ 53903-49-4 ]
  • [ 105942-08-3 ]
  • [ 1360431-01-1 ]
YieldReaction ConditionsOperation in experiment
87% With potassium phosphate;tris-(dibenzylideneacetone)dipalladium(0); XPhos; In toluene; at 110℃; for 20h;Inert atmosphere; <strong>[53903-49-4]2-Amino-5-methoxy-benzotrifluoride</strong> (10.46 mmol), K3PO4 (15.7 mmol), Xphos (1.05 mmol) and Pd4(dba)3 (0.314 mmol) were added under nitrogen to a solution of 4-bromo-2-fluoro-benzonitrile (10.46 mmol) in 50 mL toluene and the mixture was stirred for 20 hours at a bath temperature of 110 C. Then the mixture was filtered through a glass fibre filter, then the filtrate was extracted with 150 mL water. The organic phase was dried on sodium sulphate and evaporated down. In this way the product was obtained in a yield of 87% of theory. C15H10F4N2O (310.2) Mass spectrum (ESI): [M+H]+=311 [M-H]-=309 Thin layer chromatograph (silica gel; petroleum ether/ethyl acetate 7:3): Rf=0.48
  • 28
  • [ 53903-49-4 ]
  • [ 1360431-02-2 ]
  • 29
  • [ 53903-49-4 ]
  • [ 1360430-75-6 ]
  • 30
  • [ 887144-94-7 ]
  • [ 104-94-9 ]
  • [ 53903-49-4 ]
YieldReaction ConditionsOperation in experiment
93% With potassium carbonate; In acetonitrile; at 75℃; for 6h;Schlenk technique; Inert atmosphere; General procedure: Experimental Procedure: A dried 25 mL Schlenk tube equipped with a magnetic stir bar was charged with Togni?s Reagent 2 (0.25 mmol, 1.0 equiv), free anilines 1 (0.75 mmol, 3.0 equiv), K2CO3 (0.375 mmol, 1.5 equiv) and CH3CN (1.5 mL). The reaction mixture was then stirred at 75 C for 6 h under an argon atmosphere. The reaction progress was monitored by TLC. After cooling to room temperature, the mixture was washed with water and extracted with CH2Cl2 three times, then washed with saturated NaCl solution. The combined organic layer was dried with anhydrous Na2SO4 and filtered. The filtrate was concentrated in vacuo. The crude product was purified by flash column chromatography on silica gel (Elutent: petroleum ether-EtOAc) to give the pure product. The products were characterized by 1H NMR, 13C NMR, 19F NMR, GC -MS.
65% With tris[2-phenylpyridinato-C2,N]iridium(III); In N,N-dimethyl-formamide; at 20℃;Inert atmosphere; Irradiation; Under nitrogen or argon, 4-methoxy-aniline 0.4 mmol,0.2 mmol, Ir (ppy) 3(2mg) were added to the reaction and DMF1 ml flask, andthen the blue LED lights (7W) irradiation conditions at room temperature until completeconversion of trivalent iodine reagent completion of the reaction. Add 10 ml ofsaturated Na 2CO 3Aqueous solution, and extracted three times with ethyl acetate, theorganic layer was washed with water and once with saturated brine, dried over anhydrousNa 2SO 4The organic layer was dried. Column chromatography (eluent: petroleum ether 60-90: ethyl acetate = 15: 1-8: 1) to give the product in 65% yield.
57% With potassium carbonate; nickel(II) hydroxide; In dimethyl sulfoxide; at 35℃; for 2h; Trifluoromethyl preparation of aromatic amines of the embodiment according to the present embodiment, the aromatic amine is p-anisidine, and other reactions after the same procedures as in Example 28 treatment. The preparation method of the trifluoromethyl aromatic amine of the present embodiment, the aromatic amine is aniline, and the nickel compound is nickel hydroxide.The base is potassium carbonate, and the reaction process parameters are: 1-trifluoromethyl-1,2-phenyliodo-3(H)-one (0.5 mmol, 1.0 eq).Aromatic amine (1.5 mmol, 3.0 eq), nickel hydroxide 10 mol%, potassium carbonate (1.5 mmol, 3.0 eq),DMSO (2 mL) was reacted at 35 C for 2 h, and the other reactions and workup procedures were the same as in Example 1.
  • 31
  • [ 119072-55-8 ]
  • [ 53903-49-4 ]
  • [ 104-87-0 ]
  • [ 637-44-5 ]
  • C30H29F3N2O3 [ No CAS ]
  • 32
  • [ 53903-49-4 ]
  • 4,4-difluoro-4-(2-fluorodimethylsilyl-5-methoxyphenyl)-1-butene [ No CAS ]
  • 33
  • [ 53903-49-4 ]
  • 2-diphenylsilyl-5-methoxybenzotrifluoride [ No CAS ]
  • 34
  • [ 53903-49-4 ]
  • 4,4-difluoro-4-(2-fluorodiphenylsilyl-5-methoxyphenyl)-1-butene [ No CAS ]
  • 35
  • [ 53903-49-4 ]
  • 2-dimethylsilyl-5-methoxybenzotrifluoride [ No CAS ]
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 53903-49-4 ]

Fluorinated Building Blocks

Chemical Structure| 349-55-3

A312490 [349-55-3]

3-Methoxy-5-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 106877-20-7

A379777 [106877-20-7]

3-Methoxy-4-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 1588441-12-6

A366642 [1588441-12-6]

4-(Trifluoromethoxy)-2-(trifluoromethyl)aniline hydrochloride

Similarity: 0.89

Chemical Structure| 57478-19-0

A246003 [57478-19-0]

4-(4-(Trifluoromethyl)phenoxy)aniline

Similarity: 0.88

Chemical Structure| 349-65-5

A188750 [349-65-5]

2-Methoxy-5-(trifluoromethyl)aniline

Similarity: 0.87

Aryls

Chemical Structure| 349-55-3

A312490 [349-55-3]

3-Methoxy-5-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 106877-20-7

A379777 [106877-20-7]

3-Methoxy-4-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 1588441-12-6

A366642 [1588441-12-6]

4-(Trifluoromethoxy)-2-(trifluoromethyl)aniline hydrochloride

Similarity: 0.89

Chemical Structure| 57478-19-0

A246003 [57478-19-0]

4-(4-(Trifluoromethyl)phenoxy)aniline

Similarity: 0.88

Chemical Structure| 349-65-5

A188750 [349-65-5]

2-Methoxy-5-(trifluoromethyl)aniline

Similarity: 0.87

Ethers

Chemical Structure| 349-55-3

A312490 [349-55-3]

3-Methoxy-5-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 106877-20-7

A379777 [106877-20-7]

3-Methoxy-4-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 1588441-12-6

A366642 [1588441-12-6]

4-(Trifluoromethoxy)-2-(trifluoromethyl)aniline hydrochloride

Similarity: 0.89

Chemical Structure| 57478-19-0

A246003 [57478-19-0]

4-(4-(Trifluoromethyl)phenoxy)aniline

Similarity: 0.88

Chemical Structure| 349-65-5

A188750 [349-65-5]

2-Methoxy-5-(trifluoromethyl)aniline

Similarity: 0.87

Amines

Chemical Structure| 349-55-3

A312490 [349-55-3]

3-Methoxy-5-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 106877-20-7

A379777 [106877-20-7]

3-Methoxy-4-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 1588441-12-6

A366642 [1588441-12-6]

4-(Trifluoromethoxy)-2-(trifluoromethyl)aniline hydrochloride

Similarity: 0.89

Chemical Structure| 57478-19-0

A246003 [57478-19-0]

4-(4-(Trifluoromethyl)phenoxy)aniline

Similarity: 0.88

Chemical Structure| 349-65-5

A188750 [349-65-5]

2-Methoxy-5-(trifluoromethyl)aniline

Similarity: 0.87

Trifluoromethyls

Chemical Structure| 349-55-3

A312490 [349-55-3]

3-Methoxy-5-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 106877-20-7

A379777 [106877-20-7]

3-Methoxy-4-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 1588441-12-6

A366642 [1588441-12-6]

4-(Trifluoromethoxy)-2-(trifluoromethyl)aniline hydrochloride

Similarity: 0.89

Chemical Structure| 57478-19-0

A246003 [57478-19-0]

4-(4-(Trifluoromethyl)phenoxy)aniline

Similarity: 0.88

Chemical Structure| 349-65-5

A188750 [349-65-5]

2-Methoxy-5-(trifluoromethyl)aniline

Similarity: 0.87