2-phenylcyclohexan-1-amine

• ChemBase ID: 263448
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C1(C(N)CCCC1)c1ccccc1
• Canonical SMILES: NC1CCCCC1c1ccccc1
• 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
• InChIKey: KLJIPLWGNJQJRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylcyclohexan-1-amine
• IUPAC Traditional name: 2-phenylcyclohexan-1-amine
• Synonyms: 2-phenylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD12048762
• PubChem SID: 164319358
• PubChem CID: 544990

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
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.925

Product Information

• Purity: 95%