4-Trifluoromethyl-N-methylaniline 97

C₈H₈F₃NCAS 22864-65-9175.15 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

H302 Harmful if swallowed97.7% of notifiers
H317 May cause an allergic skin reaction95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

22864-65-9

SMILES

CNC1=CC=C(C=C1)C(F)(F)F

InChIKey

UTUYWZJPVLDHJJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3N/c1-12-7-4-2-6(3-5-7)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

1 names

N-Methyl-4-(trifluoromethyl)aniline

Work with 4-Trifluoromethyl-N-methylaniline 97

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

4-Trifluoromethylphenylhydrazine368-90-158 % similar 1,4-Bis(trifluoromethyl)benzene433-19-257 % similar (4-(Trifluoromethyl)phenyl)hydrazine hydrochloride2923-56-052 % similar N-Methyl-4-(trifluoromethoxy)aniline41419-59-450 % similar 4-Fluoro-N-methylaniline459-59-650 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-650 % similar (4-(Trifluoromethyl)phenyl)thiourea1736-72-747 % similar 4-Fluorobenzotrifluoride402-44-846 % similar

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

Same formula

N-Methyl-2-(trifluoromethyl)benzenamine14925-10-1 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 4-Amino-3-methylbenzotrifluoride67169-22-6

Elsewhere

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