(1R,2S)-2-phenylcyclohexan-1-amine

• ChemBase ID: 306707
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: [C@@H]1([C@H](N)CCCC1)c1ccccc1
• Canonical SMILES: N[C@@H]1CCCC[C@H]1c1ccccc1
• InChI: InChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,13H2/t11-,12+/m0/s1
• InChIKey: KLJIPLWGNJQJRM-NWDGAFQWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S)-2-phenylcyclohexan-1-amine
• IUPAC Traditional name: (1R,2S)-2-phenylcyclohexan-1-amine
• Synonyms: rac-(1R,2S)-2-phenylcyclohexanamine

Database IDs

• CAS Number: 1011-11-6
• MDL Number: MFCD02375805

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.348002
• LogD (pH = 7.4): 0.16055349
• Log P: 2.6725883
• Molar Refractivity: 55.4996 cm^3
• Polarizability: 22.15825 Å^3
• Polar Surface Area: 26.02 Å^2