chempirical

3-(Trifluoromethyl)benzylamine

C8H8F3NCAS 2740-83-2175.15 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
Melting point
176.5–178.5 °C
Boiling point
95–97 °C (at 40 Torr)
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 51 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
2740-83-2
SMILES
NCc1cccc(C(F)(F)F)c1
InChIKey
YKNZTUQUXUXTLE-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2

Weigh it out

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Names and synonyms

9 names
  • Benzenemethanamine, 3-(trifluoromethyl)-
  • Benzylamine, m-(trifluoromethyl)-
  • 3-(Trifluoromethyl)benzenemethanamine
  • m-(Trifluoromethyl)benzylamine
  • [3-(Trifluoromethyl)phenyl]methanamine
  • ((3-(Trifluoromethyl)phenyl)methyl)amine
  • meta-Trifluoromethylbenzylamine
  • 3-Triflouromethyl-1-benzylamine
  • 1-[3-(Trifluoromethyl)phenyl]methanamine

Work with 3-(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

3,3'-Bis(trifluoromethyl)diphenylmethane86845-35-468 % similar 2-(3-Trifluoromethylphenyl)ethylamine52516-30-068 % similar 3,5-Bis(trifluoromethyl)benzylamine85068-29-764 % similar 3-(Trifluoromethyl)benzyl mercaptan25697-55-661 % similar 3-(Trifluoromethyl)benzylic alcohol349-75-761 % similar 3-(Trifluoromethyl)benzyl bromide402-23-361 % similar 3-(Trifluoromethyl)benzyl chloride705-29-361 % similar M-Xylylenediamine1477-55-058 % 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 2-(Trifluoromethyl)benzylamine3048-01-9 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

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