chempirical

[(S)-Cyclopropyl(phenyl)methyl]amine

C10H13NCAS 321863-61-0147.22 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C10H13N
Molar mass
147.22 g/mol
Exact mass
147.1048 Da
logP
2.10Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
321863-61-0
SMILES
C1CC1[C@@H](C2=CC=CC=C2)N
InChIKey
UCRSQPUGEDLYSH-SNVBAGLBSA-N
InChI
InChI=1S/C10H13N/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t10-/m1/s1

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Names and synonyms

1 names
  • (S)-Cyclopropyl(phenyl)methanamine

Work with [(S)-Cyclopropyl(phenyl)methyl]amine

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

Rel-(1R,2R)-1,2-Diphenyl-1,2-ethanediamine16635-95-367 % similar (-)-(S,S)-1,2-Diphenylethylenediamine29841-69-867 % similar Diphenylethylenediamine35132-20-867 % similar (1R,2S)-2-Amino-1,2-diphenylethanol23190-16-152 % similar (1S,2R)-(+)-2-Amino-1,2-diphenylethanol23364-44-552 % similar Phenylcyclopropane873-49-446 % similar Benzhydrylamine91-00-946 % similar γ-Aminobenzenepropanol14593-04-543 % similar

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

Same formula

2-Phenylpyrrolidine1006-64-0 2,3,4,5-Tetrahydro-1H-benzo[B]azepine1701-57-1 2-Methyltetrahydroquinoline1780-19-4 (S)-1,2,3,4-Tetrahydro-2-naphthylamine21880-87-5 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-5 5,6,7,8-Tetrahydro-1-naphthylamine2217-41-6 (-)-1,2,3,4-Tetrahydro-1-naphthylamine23357-46-2 (+)-1,2,3,4-Tetrahydro-1-naphthylamine23357-52-0

Elsewhere

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