[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl][(4-methoxyphenyl)methyl]amine

• ChemBase ID: 190967
• Molecular Formular: C22H25NO3
• Molecular Mass: 351.4388
• Monoisotopic Mass: 351.18344367
• SMILES: c1(C(c2c(OC)cccc2)CCNCc2ccc(cc2)OC)occc1
• Canonical SMILES: COc1ccc(cc1)CNCCC(c1ccccc1OC)c1ccco1
• InChI: InChI=1S/C22H25NO3/c1-24-18-11-9-17(10-12-18)16-23-14-13-20(22-8-5-15-26-22)19-6-3-4-7-21(19)25-2/h3-12,15,20,23H,13-14,16H2,1-2H3
• InChIKey: UNWNWIIYCPDJPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246877
• PubChem CID: 2950739

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8782699
• LogD (pH = 7.4): 1.8022627
• Log P: 4.077071
• Molar Refractivity: 103.3125 cm^3
• Polarizability: 40.23664 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