(2-(Trifluoromethoxy)phenyl)methanamine

C₈H₈F₃NOCAS 175205-64-8191.15 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
logP: 2.04Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage12.5% of notifiers
H319 Causes serious eye irritation12.5% of notifiers
H335 May cause respiratory irritation12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P403+P233, P405, P501

Identifiers

CAS number

175205-64-8

SMILES

NCc1ccccc1OC(F)(F)F

InChIKey

FYXMMFFZMQMXCQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H,5,12H2

Weigh it out

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

Names and synonyms

7 names

2-(Trifluoromethoxy)benzenemethanamine
Benzenemethanamine, 2-(trifluoromethoxy)-
2-(Trifluoromethoxy)benzylamine
[[2-(Trifluoromethoxy)phenyl]methyl]amine
[2-(Trifluoromethoxy)phenyl]methanamine
[2-[(Trifluoromethyl)oxy]benzyl]amine
1-[2-[(Trifluoromethyl)oxy]phenyl]methanamine

Work with (2-(Trifluoromethoxy)phenyl)methanamine

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-(Trifluoromethoxy)benzenemethanol175278-07-663 % similar 2-(Trifluoromethoxy)benzyl bromide198649-68-263 % similar 2-Triflnoromethoxybenzyl cyanide137218-25-859 % similar 2-(Trifluoromethoxy)benzeneacetic acid220239-67-854 % similar 2-Trifluoromethoxyaniline1535-75-753 % similar 2-Methoxybenzylamine6850-57-353 % similar 2-(Difluoromethoxy)benzylamine243863-36-753 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-552 % similar

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

Same formula

N-Methyl-2-(trifluoromethoxy)aniline175278-04-3 3-Methoxy-5-(trifluoromethyl)aniline349-55-3 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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