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

• ChemBase ID: 191605
• Molecular Formular: C25H29NO3
• Molecular Mass: 391.50266
• Monoisotopic Mass: 391.21474379
• SMILES: c1(C(c2ccc(cc2)OC)CCNCc2ccc(cc2)OC)c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)CNCCC(c1ccccc1OC)c1ccc(cc1)OC
• InChI: InChI=1S/C25H29NO3/c1-27-21-12-8-19(9-13-21)18-26-17-16-23(20-10-14-22(28-2)15-11-20)24-6-4-5-7-25(24)29-3/h4-15,23,26H,16-18H2,1-3H3
• InChIKey: OJPCZQJSRIQTSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247515
• PubChem CID: 2945722

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7264094
• LogD (pH = 7.4): 2.535251
• Log P: 4.937107
• Molar Refractivity: 117.3078 cm^3
• Polarizability: 45.913536 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds