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

• ChemBase ID: 191054
• Molecular Formular: C23H27NO3
• Molecular Mass: 365.46538
• Monoisotopic Mass: 365.19909373
• SMILES: c1(occc1)C(Cc1ccccc1)CCNCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(CNCCC(c2ccco2)Cc2ccccc2)ccc1OC
• InChI: InChI=1S/C23H27NO3/c1-25-22-11-10-19(16-23(22)26-2)17-24-13-12-20(21-9-6-14-27-21)15-18-7-4-3-5-8-18/h3-11,14,16,20,24H,12-13,15,17H2,1-2H3
• InChIKey: VCZNVUHJXKMCHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246964
• PubChem CID: 3307641

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3347505
• LogD (pH = 7.4): 2.3473115
• Log P: 4.52164
• Molar Refractivity: 107.9135 cm^3
• Polarizability: 42.007008 Å^3
• Polar Surface Area: 43.63 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds