chempirical

4-(Trifluoromethoxy)benzylamine

C8H8F3NOCAS 93919-56-3191.15 g/mol

Open in Covalent MOL file
H2NOFFF
Alkyl halideEtherPrimary amine

Properties

Molecular formula
C8H8F3NO
Molar mass
191.15 g/mol
Exact mass
191.0558 Da
Density
1.25 g/mL
logP
2.04Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
93919-56-3
SMILES
NCc1ccc(OC(F)(F)F)cc1
InChIKey
DBGROTRFYBSUTR-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2

Weigh it out

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

Names and synonyms

5 names
  • Benzenemethanamine, 4-(trifluoromethoxy)-
  • 4-(Trifluoromethoxy)benzenemethanamine
  • ((4-(Trifluoromethoxy)phenyl)methyl)amine
  • [4-(Trifluoromethoxy)phenyl]methanamine
  • p-Trifluoromethoxybenzylamine

Work with 4-(Trifluoromethoxy)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-(Trifluoromethoxy)benzylamine93071-75-163 % similar 4-(Trifluoromethoxy)benzenemethanol1736-74-960 % similar [4-(Trifluoromethoxy)phenyl]methanethiol175278-03-260 % similar 4-Trifluoromethoxybenzyl bromide50824-05-060 % similar 4-(Trifluoromethoxy)benzyl chloride65796-00-160 % similar 4-(Trifluoromethoxy)aniline461-82-555 % similar 4-(Trifluoromethoxy)phenylacetonitrile49561-96-855 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-052 % similar

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

Same formula

(2-(Trifluoromethoxy)phenyl)methanamine175205-64-8 N-Methyl-2-(trifluoromethoxy)aniline175278-04-3 5-(Trifluoromethyl)-m-anisidine349-55-3 2-Methoxy-5-(trifluoromethyl)aniline349-65-5 5-Amino-2-methoxybenzotrifluoride393-15-7 N-Methyl-4-(trifluoromethoxy)aniline41419-59-4 4-Methoxy-2-(trifluoromethyl)aniline53903-49-4 2-Methyl-4-(trifluoromethoxy)aniline86256-59-9

Elsewhere

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