chempirical

(S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanamine

C10H9F6NCAS 127733-40-8257.18 g/mol

Open in Covalent MOL file
FFFFFFH2N
Alkyl halidePrimary amine

Properties

Molecular formula
C10H9F6N
Molar mass
257.18 g/mol
Exact mass
257.0639 Da
logP
3.74Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
127733-40-8
SMILES
C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N
InChIKey
PFVWEAYXWZFSSK-YFKPBYRVSA-N
InChI
InChI=1S/C10H9F6N/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5H,17H2,1H3/t5-/m0/s1

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Names and synonyms

1 names
  • (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine hcl

Work with (S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanamine

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

(R)-1-[3-(Trifluoromethyl)phenyl]ethylamine127852-30-668 % similar (αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol127852-28-255 % similar (αS)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol225920-05-855 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-545 % similar [3,5-Bis(trifluoromethyl)phenyl]hydrazine886-35-142 % similar (+)-1-(4-Fluorophenyl)ethylamine374898-01-841 % similar 3,5-Bis(trifluoromethyl)benzylamine85068-29-741 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-740 % similar

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

Elsewhere

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