1-(4-cyclohexylphenyl)-2-methylpropan-1-amine

• ChemBase ID: 250024
• Molecular Formular: C16H25N
• Molecular Mass: 231.3764
• Monoisotopic Mass: 231.19869981
• SMILES: C(c1ccc(cc1)C1CCCCC1)(N)C(C)C
• Canonical SMILES: NC(c1ccc(cc1)C1CCCCC1)C(C)C
• InChI: InChI=1S/C16H25N/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13,16H,3-7,17H2,1-2H3
• InChIKey: DESGYLVMFUBARC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-cyclohexylphenyl)-2-methylpropan-1-amine
• IUPAC Traditional name: 1-(4-cyclohexylphenyl)-2-methylpropan-1-amine
• Synonyms: 1-(4-cyclohexylphenyl)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD07339050
• PubChem SID: 164305934
• PubChem CID: 4962876

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5055234
• LogD (pH = 7.4): 2.1696806
• Log P: 4.5180736
• Molar Refractivity: 74.1374 cm^3
• Polarizability: 29.541784 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 4.951

Product Information

• Purity: 95%