N-Methyl-2-(trifluoromethyl)benzenamine

C₈H₈F₃NCAS 14925-10-1175.15 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₈H₈F₃N
Molar mass: 175.15 g/mol
Exact mass: 175.0609 Da
logP: 2.75Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor88.6% of notifiers
H302 Harmful if swallowed11.4% of notifiers
H312 Harmful in contact with skin11.4% of notifiers
H315 Causes skin irritation11.4% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

14925-10-1

SMILES

CNc1ccccc1C(F)(F)F

InChIKey

RNRDHZGWBBEZBK-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3N/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5,12H,1H3

Weigh it out

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

Names and synonyms

5 names

Benzenamine, N-methyl-2-(trifluoromethyl)-
o-Toluidine, α,α,α-trifluoro-N-methyl-
N-Methyl-2-trifluoromethylaniline
2-(Methylamino)benzotrifluoride
2-Trifluoromethyl-N-methylaniline

Work with N-Methyl-2-(trifluoromethyl)benzenamine

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

1,2-Bis(trifluoromethyl)benzene433-95-461 % similar [2-(Trifluoromethyl)phenyl]hydrazine365-34-461 % similar 2-(Trifluoromethyl)phenylhydrazine hydrochloride3107-34-455 % similar N-[2-(Trifluoromethyl)phenyl]thiourea1736-71-649 % similar N-Methyl-2-(trifluoromethoxy)aniline175278-04-348 % similar 1-Methyl-2-(trifluoromethyl)benzene13630-19-848 % similar 2-Fluoro-N-methylbenzenamine1978-38-748 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-645 % similar

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

Same formula

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 4-Amino-3-methylbenzotrifluoride67169-22-6

Elsewhere

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