chempirical

2-(Trifluoromethyl)benzylamine

C8H8F3NCAS 3048-01-9175.15 g/mol

Open in Covalent MOL file
H2NFFF
Alkyl halidePrimary amine

Properties

Molecular formula
C8H8F3N
Molar mass
175.15 g/mol
Exact mass
175.0609 Da
logP
2.16Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
3048-01-9
SMILES
NCc1ccccc1C(F)(F)F
InChIKey
ZSKQIFWUTUZAGF-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3N/c9-8(10,11)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

9 names
  • 2-(Trifluoromethyl)benzenemethanamine
  • Benzenemethanamine, 2-(trifluoromethyl)-
  • Benzylamine, o-(trifluoromethyl)-
  • o-(Trifluoromethyl)benzylamine
  • 2-Trifluoromethylbenzylamine
  • [[2-(Trifluoromethyl)phenyl]methyl]amine
  • [2-(Trifluoromethyl)phenyl]methanamine
  • 2-Trifluoromethyl-1-benzylamine
  • 1-[2-(Trifluoromethyl)phenyl]methanamine

Work with 2-(Trifluoromethyl)benzylamine

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-Fluoro-3-(trifluoromethyl)benzylamine239135-49-067 % similar 2-Chloro-3-(trifluoromethyl)benzylamine39226-96-567 % similar 2-(Trifluoromethyl)phenethylamine774-18-566 % similar 2-Trifluoromethylbenzyl chloride21742-00-759 % similar 2-(Trifluoromethyl)benzylic alcohol346-06-559 % similar 2-Trifluoromethylbenzyl bromide395-44-859 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-957 % similar (4-Fluoro-2-(trifluoromethyl)phenyl)methanamine202522-22-356 % similar

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

Same formula

N-Methyl-2-(trifluoromethyl)benzenamine14925-10-1 4-Trifluoromethyl-N-methylaniline 9722864-65-9 2-Methyl-5-(trifluoromethyl)aniline25449-96-1 3-(Trifluoromethyl)benzylamine2740-83-2 4-(Trifluoromethyl)benzylamine3300-51-4 2-Methyl-3-(trifluoromethyl)aniline54396-44-0 4-Methyl-3-(trifluoromethyl)aniline65934-74-9 4-Amino-3-methylbenzotrifluoride67169-22-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook