5-(4-Methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)benzenamine

C₁₁H₁₀F₃N₃CAS 641571-11-1241.22 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₁₁H₁₀F₃N₃
Molar mass: 241.22 g/mol
Exact mass: 241.0827 Da
Melting point: 126–129 °C
logP: 2.78Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed66.7% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

641571-11-1

SMILES

Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1

InChIKey

WWTGXYAJVXKEKL-UHFFFAOYSA-N

InChI

InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3

Weigh it out

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

Names and synonyms

7 names

Benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine
1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole
3-(4-Methyl-1H-imidazol-1-yl)-5-trifluoromethylaniline
3-(4-Methylimidazol-1-yl)-5-trifluoromethylphenylamine
5-(4-Methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)benzeneamine
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

Work with 5-(4-Methyl-1H-imidazol-1-yl)-3-(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

3-Methyl-5-trifluoromethylaniline96100-12-846 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-546 % similar 3,5-Diaminobenzotrifluoride368-53-646 % similar 3-Fluoro-5-trifluoromethylaniline454-67-140 % similar 5-(Trifluoromethyl)-m-anisidine349-55-340 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-340 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-840 % similar Radotinib926037-48-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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