[(3,4-dimethoxyphenyl)methyl][3-(furan-2-yl)-3-(4-methylphenyl)propyl]amine

• ChemBase ID: 201169
• Molecular Formular: C23H27NO3
• Molecular Mass: 365.46538
• Monoisotopic Mass: 365.19909373
• SMILES: c1(occc1)C(c1ccc(cc1)C)CCNCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)CNCCC(c1ccco1)c1ccc(cc1)C
• InChI: InChI=1S/C23H27NO3/c1-17-6-9-19(10-7-17)20(21-5-4-14-27-21)12-13-24-16-18-8-11-22(25-2)23(15-18)26-3/h4-11,14-15,20,24H,12-13,16H2,1-3H3
• InChIKey: QWWGMGVMIIWGCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dimethoxyphenyl)methyl][3-(furan-2-yl)-3-(4-methylphenyl)propyl]amine
• IUPAC Traditional name: [(3,4-dimethoxyphenyl)methyl][3-(furan-2-yl)-3-(4-methylphenyl)propyl]amine

Database IDs

• PubChem SID: 164257079
• PubChem CID: 2929044

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4011073
• LogD (pH = 7.4): 2.3967571
• Log P: 4.5904922
• Molar Refractivity: 108.3537 cm^3
• Polarizability: 42.002914 Å^3
• Polar Surface Area: 43.63 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds