4-methyl-4-phenylcyclohexan-1-amine hydrochloride

• ChemBase ID: 240433
• Molecular Formular: C13H20ClN
• Molecular Mass: 225.7576
• Monoisotopic Mass: 225.12842733
• SMILES: C1(c2ccccc2)(CCC(N)CC1)C.Cl
• Canonical SMILES: NC1CCC(CC1)(C)c1ccccc1.Cl
• InChI: InChI=1S/C13H19N.ClH/c1-13(9-7-12(14)8-10-13)11-5-3-2-4-6-11;/h2-6,12H,7-10,14H2,1H3;1H
• InChIKey: NSDGXHHOIBQACL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-4-phenylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 4-methyl-4-phenylcyclohexan-1-amine hydrochloride
• Synonyms: 4-methyl-4-phenylcyclohexan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22392140
• PubChem SID: 164296343
• PubChem CID: 71756550

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.13324784
• LogD (pH = 7.4): 0.15241152
• Log P: 2.894682
• Molar Refractivity: 60.0517 cm^3
• Polarizability: 24.005465 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.294

Product Information

• Purity: 95%