benzyl[3-(4-methoxyphenyl)-3-(4-methylphenyl)propyl]amine

• ChemBase ID: 192455
• Molecular Formular: C24H27NO
• Molecular Mass: 345.47728
• Monoisotopic Mass: 345.20926449
• SMILES: c1(C(c2ccc(cc2)C)CCNCc2ccccc2)ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)C)CCNCc1ccccc1
• InChI: InChI=1S/C24H27NO/c1-19-8-10-21(11-9-19)24(22-12-14-23(26-2)15-13-22)16-17-25-18-20-6-4-3-5-7-20/h3-15,24-25H,16-18H2,1-2H3
• InChIKey: NCAQBZAGWJVTOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[3-(4-methoxyphenyl)-3-(4-methylphenyl)propyl]amine
• IUPAC Traditional name: benzyl[3-(4-methoxyphenyl)-3-(4-methylphenyl)propyl]amine

Database IDs

• PubChem SID: 164248365
• PubChem CID: 3811497

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.546566
• LogD (pH = 7.4): 3.2444391
• Log P: 5.765871
• Molar Refractivity: 109.4226 cm^3
• Polarizability: 42.720097 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds