4-({[3-(4-methoxyphenyl)-4-phenylbutyl]amino}methyl)-N,N-dimethylaniline

• ChemBase ID: 192505
• Molecular Formular: C26H32N2O
• Molecular Mass: 388.54508
• Monoisotopic Mass: 388.25146365
• SMILES: c1(N(C)C)ccc(cc1)CNCCC(c1ccc(cc1)OC)Cc1ccccc1
• Canonical SMILES: COc1ccc(cc1)C(Cc1ccccc1)CCNCc1ccc(cc1)N(C)C
• InChI: InChI=1S/C26H32N2O/c1-28(2)25-13-9-22(10-14-25)20-27-18-17-24(19-21-7-5-4-6-8-21)23-11-15-26(29-3)16-12-23/h4-16,24,27H,17-20H2,1-3H3
• InChIKey: BTFZOEQLSLYVIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({[3-(4-methoxyphenyl)-4-phenylbutyl]amino}methyl)-N,N-dimethylaniline
• IUPAC Traditional name: 4-({[3-(4-methoxyphenyl)-4-phenylbutyl]amino}methyl)-N,N-dimethylaniline

Database IDs

• PubChem SID: 164248415
• PubChem CID: 3752305

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.54185
• LogD (pH = 7.4): 3.220423
• Log P: 5.805062
• Molar Refractivity: 123.411 cm^3
• Polarizability: 47.525875 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds