5-(Trifluoromethyl)-m-anisidine

C₈H₈F₃NOCAS 349-55-3191.15 g/mol

Open in Covalent MOL file

Alkyl halide Ether Primary amine

Properties

Molecular formula: C₈H₈F₃NO
Molar mass: 191.15 g/mol
Exact mass: 191.0558 Da
Melting point: 151 °C
logP: 2.30Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled41.1% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin94.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation93.2% of notifiers

Aggregated from 73 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

349-55-3

SMILES

COc1cc(N)cc(C(F)(F)F)c1

InChIKey

VTFGJEYZCUWSAM-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,12H2,1H3

Weigh it out

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

Names and synonyms

9 names

3-Methoxy-5-(trifluoromethyl)aniline
Benzenamine, 3-methoxy-5-(trifluoromethyl)-
m-Anisidine, 5-(trifluoromethyl)-
3-Methoxy-5-(trifluoromethyl)benzenamine
3-(Trifluoromethyl)-5-methoxyaniline
5-Methoxy-3-(trifluoromethyl)aniline
(3-Methoxy-5-trifluoromethylphenyl)amine
5-Methoxy-3-trifluoromethylbenzenamine
3-(Methyloxy)-5-(trifluoromethyl)aniline

Work with 5-(Trifluoromethyl)-m-anisidine

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

3,5-Bis(trifluoromethyl)anisole349-60-071 % similar 3,5-Dimethoxyaniline10272-07-861 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-561 % similar 3,5-Diaminobenzotrifluoride368-53-661 % similar 3-Fluoro-5-methoxyaniline2339-58-455 % similar 1-Methoxy-3-(trifluoromethyl)benzene454-90-053 % similar 3-Fluoro-5-trifluoromethylaniline454-67-152 % similar 3-Methoxy-5-nitrobenzotrifluoride328-79-050 % similar

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

Same formula

(2-(Trifluoromethoxy)phenyl)methanamine175205-64-8 N-Methyl-2-(trifluoromethoxy)aniline175278-04-3 2-Methoxy-5-(trifluoromethyl)aniline349-65-5 5-Amino-2-methoxybenzotrifluoride393-15-7 N-Methyl-4-(trifluoromethoxy)aniline41419-59-4 4-Methoxy-2-(trifluoromethyl)aniline53903-49-4 2-Methyl-4-(trifluoromethoxy)aniline86256-59-9 4-(Trifluoromethoxy)benzylamine93919-56-3

Elsewhere

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