(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

Hazards

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

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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 1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol368-63-855 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-750 % similar 3,3',5,5'-Tetrakis(trifluoromethyl)benzhydrol87901-76-650 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-545 % similar 3,5-Bis(trifluoromethyl)toluene75462-61-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Bis(trifluoromethyl)-N-ethylaniline49850-16-0

Elsewhere

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