2-(Trifluoromethyl)phenethylamine

C₉H₁₀F₃NCAS 774-18-5189.18 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₉H₁₀F₃N
Molar mass: 189.18 g/mol
Exact mass: 189.0765 Da
logP: 2.21Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% 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 irritation100% of notifiers

Aggregated from 2 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

774-18-5

SMILES

NCCc1ccccc1C(F)(F)F

InChIKey

LIERORLYMWHXDL-UHFFFAOYSA-N

InChI

InChI=1S/C9H10F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5-6,13H2

Weigh it out

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

Names and synonyms

6 names

2-(Trifluoromethyl)benzeneethanamine
Benzeneethanamine, 2-(trifluoromethyl)-
Phenethylamine, o-(trifluoromethyl)-
2-(2-Trifluoromethylphenyl)ethylamine
2-[2-(Trifluoromethyl)phenyl]ethanamine
2-[2-(Trifluoromethyl)phenyl]ethan-1-amine

Work with 2-(Trifluoromethyl)phenethylamine

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-(Trifluoromethyl)benzylamine3048-01-966 % similar 2-(Trifluoromethyl)benzeneethanol94022-96-561 % similar 2-Trifluoromethylbenzyl chloride21742-00-755 % similar 2-(Trifluoromethyl)benzylic alcohol346-06-555 % similar 2-Trifluoromethylbenzyl bromide395-44-855 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-953 % similar 2-(2-Fluorophenyl)ethylamine52721-69-452 % similar 2-(Trifluoromethyl)benzenepropanoic acid94022-99-851 % similar

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

Same formula

(R)-1-[3-(Trifluoromethyl)phenyl]ethylamine127852-30-6 2-(3-Trifluoromethylphenyl)ethylamine52516-30-0 2-[4-(Trifluoromethyl)phenyl]ethan-1-amine775-00-8

Elsewhere

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