chempirical

(S)-1-(3,4-Difluorophenyl)ethanamine

C8H9F2NCAS 321318-17-6157.16 g/mol

Open in Covalent MOL file
FFH2N
Aryl halidePrimary amine

Properties

Molecular formula
C8H9F2N
Molar mass
157.16 g/mol
Exact mass
157.0703 Da
logP
1.98Crippen 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. Search the SDS library

Identifiers

CAS number
321318-17-6
SMILES
C[C@@H](C1=CC(=C(C=C1)F)F)N
InChIKey
AESHLRAPTJZOJL-YFKPBYRVSA-N
InChI
InChI=1S/C8H9F2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m0/s1

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Names and synonyms

1 names
  • Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphas)- (9ci)

Work with (S)-1-(3,4-Difluorophenyl)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

(+)-1-(4-Fluorophenyl)ethylamine374898-01-855 % similar 1-(4-Fluorophenyl)ethylamine403-40-755 % similar (S)-1-(4-Fluorophenyl)-ethylamine66399-30-255 % similar (R)-1-(3-Fluorophenyl)ethanamine761390-58-355 % similar (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine220352-38-552 % similar (-)-1-(2-Naphthyl)ethylamine3082-62-050 % similar (1R Trans)-2-(3,4-difluorophenyl)cyclopropane amine1156491-10-947 % similar (-)-1-(4-Methylphenyl)ethylamine27298-98-247 % similar

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

Elsewhere

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