[3-(4-methoxyphenyl)-4-phenylbutyl][(4-methoxyphenyl)methyl]amine

• ChemBase ID: 191526
• Molecular Formular: C25H29NO2
• Molecular Mass: 375.50326
• Monoisotopic Mass: 375.21982917
• SMILES: c1(C(Cc2ccccc2)CCNCc2ccc(cc2)OC)ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCCC(c1ccc(cc1)OC)Cc1ccccc1
• InChI: InChI=1S/C25H29NO2/c1-27-24-12-8-21(9-13-24)19-26-17-16-23(18-20-6-4-3-5-7-20)22-10-14-25(28-2)15-11-22/h3-15,23,26H,16-19H2,1-2H3
• InChIKey: OLHWCCAKGTYZQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247436
• PubChem CID: 3815609

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3268836
• LogD (pH = 7.4): 3.115338
• Log P: 5.5393467
• Molar Refractivity: 115.4456 cm^3
• Polarizability: 45.195305 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds