chempirical

2-(Trifluoromethyl)benzeneethanamine

C9H10F3NCAS 774-18-5189.18 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

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

5 names
  • 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)benzeneethanamine

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)benzenemethanamine3048-01-966 % similar 2-(Trifluoromethyl)benzeneethanol94022-96-561 % similar 2-(Trifluoromethyl)benzenemethanol346-06-555 % similar 2-Trifluoromethylbenzyl bromide395-44-855 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-953 % similar 2-(Trifluoromethyl)benzenepropanoic acid94022-99-851 % similar 2-(Trifluoromethyl)benzenemethanesulfonamide112941-35-250 % similar 1,2-Bis(trifluoromethyl)benzene433-95-450 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook