chempirical

2-Amino-5-methylbenzotrifluoride

C8H8F3NCAS 87617-23-0175.15 g/mol

Open in Covalent MOL file
NH2FFF
Alkyl halidePrimary amine

Properties

Molecular formula
C8H8F3N
Molar mass
175.15 g/mol
Exact mass
175.0609 Da
logP
2.60Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
87617-23-0
SMILES
CC1=CC(=C(C=C1)N)C(F)(F)F
InChIKey
JPPWLYYUBCTQMY-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3N/c1-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,12H2,1H3

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Names and synonyms

1 names
  • 4-Methyl-2-(trifluoromethyl)aniline

Work with 2-Amino-5-methylbenzotrifluoride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3'-Bis(trifluoromethyl)benzidine346-88-362 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-660 % similar 2,4-Bis(trifluoromethyl)aniline367-71-560 % similar 4-Fluoro-2-(trifluoromethyl)aniline393-39-558 % similar 4-Methoxy-2-(trifluoromethyl)aniline53903-49-458 % similar 2-Bromo-5-methylbenzotrifluoride261952-20-956 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-356 % similar 2-Trifluoromethyl-4-chloroaniline445-03-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Methyl-2-(trifluoromethyl)benzenamine14925-10-1 4-Trifluoromethyl-N-methylaniline 9722864-65-9 2-Methyl-5-(trifluoromethyl)aniline25449-96-1 3-(Trifluoromethyl)benzylamine2740-83-2 2-(Trifluoromethyl)benzenemethanamine3048-01-9 4-(Trifluoromethyl)benzylamine3300-51-4 2-Methyl-3-(trifluoromethyl)aniline54396-44-0 4-Methyl-3-(trifluoromethyl)aniline65934-74-9

Elsewhere

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