1,3-bis(4-methylphenyl)propan-2-amine

• ChemBase ID: 279075
• Molecular Formular: C17H21N
• Molecular Mass: 239.35534
• Monoisotopic Mass: 239.16739968
• SMILES: C(Cc1ccc(cc1)C)(Cc1ccc(cc1)C)N
• Canonical SMILES: NC(Cc1ccc(cc1)C)Cc1ccc(cc1)C
• InChI: InChI=1S/C17H21N/c1-13-3-7-15(8-4-13)11-17(18)12-16-9-5-14(2)6-10-16/h3-10,17H,11-12,18H2,1-2H3
• InChIKey: SYPSBLFFJDFXSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09887265
• PubChem SID: 164334985
• PubChem CID: 20455312

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4686761
• LogD (pH = 7.4): 2.018545
• Log P: 4.4874196
• Molar Refractivity: 78.4066 cm^3
• Polarizability: 30.457363 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.158

Product Information

• Purity: 95%