2-(3-Trifluoromethylphenyl)ethylamine

C9H10F3NCAS 52516-30-0189.18 g/mol

Open in Covalent MOL file
H2NFFF
Alkyl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
52516-30-0
SMILES
NCCc1cccc(C(F)(F)F)c1
InChIKey
BPVYCXMGJPKOTQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4-5,13H2

Weigh it out

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

Names and synonyms

8 names
  • Phenethylamine, m-trifluoromethyl-
  • Benzeneethanamine, 3-(trifluoromethyl)-
  • 3-(Trifluoromethyl)benzeneethanamine
  • β-3-Trifluoromethylphenylethylamine
  • m-(Trifluoromethyl)phenethylamine
  • 3-Trifluoromethylphenethylamine
  • 2-(3-Trifluoromethylphenyl)ethanamine
  • 2-[3-(Trifluoromethyl)phenyl]ethan-1-amine

Work with 2-(3-Trifluoromethylphenyl)ethylamine

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-(Trifluoromethyl)benzylamine2740-83-268 % similar 3,3'-Bis(trifluoromethyl)diphenylmethane86845-35-463 % similar 3-(Trifluoromethyl)benzenepropanol78573-45-260 % similar 3-(Trifluoromethyl)benzenepropanal21172-41-858 % similar 3-(Trifluoromethyl)benzyl mercaptan25697-55-658 % similar 3-(Trifluoromethyl)benzylic alcohol349-75-758 % similar 3-(Trifluoromethyl)benzyl bromide402-23-358 % similar 3-(Trifluoromethyl)benzyl chloride705-29-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-1-[3-(Trifluoromethyl)phenyl]ethylamine127852-30-6 2-(Trifluoromethyl)phenethylamine774-18-5 2-[4-(Trifluoromethyl)phenyl]ethan-1-amine775-00-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook