[1,3-bis(4-methylphenyl)propan-2-yl](methyl)amine

• ChemBase ID: 279074
• Molecular Formular: C18H23N
• Molecular Mass: 253.38192
• Monoisotopic Mass: 253.18304974
• SMILES: C(Cc1ccc(cc1)C)(Cc1ccc(cc1)C)NC
• Canonical SMILES: CNC(Cc1ccc(cc1)C)Cc1ccc(cc1)C
• InChI: InChI=1S/C18H23N/c1-14-4-8-16(9-5-14)12-18(19-3)13-17-10-6-15(2)7-11-17/h4-11,18-19H,12-13H2,1-3H3
• InChIKey: CMZUMFMOBWFXQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,3-bis(4-methylphenyl)propan-2-yl](methyl)amine
• IUPAC Traditional name: [1,3-bis(4-methylphenyl)propan-2-yl](methyl)amine
• Synonyms: [1,3-bis(4-methylphenyl)propan-2-yl](methyl)amine

Database IDs

• MDL Number: MFCD17960702
• PubChem SID: 164334984
• PubChem CID: 54595125

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6889037
• LogD (pH = 7.4): 2.158167
• Log P: 4.92
• Molar Refractivity: 83.1812 cm^3
• Polarizability: 32.304287 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.304

Product Information

• Purity: 95%