2-Methyl-5-(trifluoromethyl)aniline

C₈H₈F₃NCAS 25449-96-1175.15 g/mol

Open in Covalent MOL file

Alkyl halide Primary 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled22.2% of notifiers
H302 Harmful if swallowed77.8% of notifiers
H312 Harmful in contact with skin77.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled77.8% of notifiers
H335 May cause respiratory irritation22.2% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

25449-96-1

SMILES

CC1=C(C=C(C=C1)C(F)(F)F)N

InChIKey

BCLCKENDTZITFB-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3N/c1-5-2-3-6(4-7(5)12)8(9,10)11/h2-4H,12H2,1H3

Weigh it out

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

Names and synonyms

1 names

3-Amino-4-methylbenzotrifluoride

Work with 2-Methyl-5-(trifluoromethyl)aniline

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

2,2-Bis(3-amino-4-methylphenyl)hexafluoropropane116325-74-768 % similar 3,4-Diaminobenzotrifluoride368-71-864 % similar 3,4-Dimethylbenzotrifluoride78164-31-564 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-661 % similar 2,5-Bis(trifluoromethyl)aniline328-93-860 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-458 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-558 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-656 % 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 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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