(4-methylcyclohexyl)(2-methylphenyl)methanamine

• ChemBase ID: 274091
• Molecular Formular: C15H23N
• Molecular Mass: 217.34982
• Monoisotopic Mass: 217.18304974
• SMILES: c1(C(C2CCC(CC2)C)N)c(C)cccc1
• Canonical SMILES: CC1CCC(CC1)C(c1ccccc1C)N
• InChI: InChI=1S/C15H23N/c1-11-7-9-13(10-8-11)15(16)14-6-4-3-5-12(14)2/h3-6,11,13,15H,7-10,16H2,1-2H3
• InChIKey: DKTSNKIUBHRNPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylcyclohexyl)(2-methylphenyl)methanamine
• IUPAC Traditional name: (4-methylcyclohexyl)(2-methylphenyl)methanamine
• Synonyms: (4-methylcyclohexyl)(2-methylphenyl)methanamine

Database IDs

• MDL Number: MFCD16169976
• PubChem SID: 164330001
• PubChem CID: 54593026

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0624129
• LogD (pH = 7.4): 1.7493778
• Log P: 4.073505
• Molar Refractivity: 69.5364 cm^3
• Polarizability: 27.697195 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.492

Product Information

• Purity: 95%