CAS 349-65-5|3-Amino-4-methoxybenzotrifluoride|2-methoxy-5-(trifluoromethyl)aniline|2-methoxy-5-(trifluoromethyl)aniline|5-Trifluoromethyl-o-anisidine|3-氨基-4-甲氧基三氟甲苯|3-Amino-4-methoxybenzot...

General Information

Structure

Molecular Formula

C₈H₈F₃NO

Molecular Mass

191.1504296

Exact Mass

191.05579854

Charge

InChI

InChI=1S/C8H8F3NO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3

InChIKey

RKUSRLUGUVDNKP-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1N)C(F)(F)F

Isomeric Smiles

c1(ccc(cc1N)C(F)(F)F)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.8621371

LogD (pH = 7.4)

1.8644673

Log P

1.8644971

Molar Refractivity

43.1953

Polarizability

15.224917

Polar Surface Area

35.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-Amino-4-methoxybenzotrifluoride5-Trifluoromethyl-o-anisidine3-氨基-4-甲氧基三氟甲苯3-Amino-4-methoxybenzotrifluoride2-Methoxy-5-(trifluoromethyl)aniline2-methoxy-5-(trifluoromethyl)aniline6-甲氧基-α,α,α-三氟间甲苯胺2-甲氧基-5-三氟甲基苯胺6-Methoxy-α,α,α-trifluoro-m-toluidine

IUPAC name

2-methoxy-5-(trifluoromethyl)aniline

IUPAC Traditional name

2-methoxy-5-(trifluoromethyl)aniline

Names and Identifiers

Registration numbers

CAS Number

349-65-5

MDL Number

MFCD00042486

EC Number

000-000-0