4-Amino-3-methylbenzotrifluoride

C8H8F3NCAS 67169-22-6175.15 g/mol

Open in Covalent MOL file
FFFNH2
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

Danger
Acute Toxic (GHS06)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
67169-22-6
SMILES
CC1=C(C=CC(=C1)C(F)(F)F)N
InChIKey
PAXQXJDYVORMOO-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3N/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-4H,12H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

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

Work with 4-Amino-3-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

2-Methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]benzenamine238098-26-566 % similar 3,4-Diaminobenzotrifluoride368-71-864 % similar 3,4-Dimethylbenzotrifluoride78164-31-564 % similar 2-Iodo-4-(trifluoromethyl)aniline163444-17-561 % similar 2,4-Bis(trifluoromethyl)aniline367-71-560 % similar 2-Fluoro-4-(trifluoromethyl)aniline69409-98-958 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-656 % similar 2-Chloro-4-trifluoromethylaniline39885-50-256 % 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)benzylamine3048-01-9 4-(Trifluoromethyl)benzylamine3300-51-4 2-Methyl-3-(trifluoromethyl)aniline54396-44-0 4-Methyl-3-(trifluoromethyl)aniline65934-74-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook