4-({[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino}methyl)-N,N-dimethylaniline

• ChemBase ID: 191801
• Molecular Formular: C26H32N2O2
• Molecular Mass: 404.54448
• Monoisotopic Mass: 404.24637827
• SMILES: c1(C(c2ccc(cc2)OC)CCNCc2ccc(N(C)C)cc2)c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1OC)CCNCc1ccc(cc1)N(C)C
• InChI: InChI=1S/C26H32N2O2/c1-28(2)22-13-9-20(10-14-22)19-27-18-17-24(21-11-15-23(29-3)16-12-21)25-7-5-6-8-26(25)30-4/h5-16,24,27H,17-19H2,1-4H3
• InChIKey: UISSSYMXNFAVAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino}methyl)-N,N-dimethylaniline
• IUPAC Traditional name: 4-({[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]amino}methyl)-N,N-dimethylaniline

Database IDs

• PubChem SID: 164247711
• PubChem CID: 3833477

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9407239
• LogD (pH = 7.4): 2.63887
• Log P: 5.202822
• Molar Refractivity: 125.2732 cm^3
• Polarizability: 48.237865 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds