benzyl[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]amine

• ChemBase ID: 190774
• Molecular Formular: C26H31NO2
• Molecular Mass: 389.52984
• Monoisotopic Mass: 389.23547924
• SMILES: c1(C(c2ccc(OC(C)C)cc2)CCNCc2ccccc2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCNCc1ccccc1
• InChI: InChI=1S/C26H31NO2/c1-20(2)29-23-15-13-22(14-16-23)24(25-11-7-8-12-26(25)28-3)17-18-27-19-21-9-5-4-6-10-21/h4-16,20,24,27H,17-19H2,1-3H3
• InChIKey: MSYMTZURVQYITF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]amine
• IUPAC Traditional name: benzyl[3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]amine

Database IDs

• PubChem SID: 164246684
• PubChem CID: 2945786

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6516957
• LogD (pH = 7.4): 3.3896751
• Log P: 5.868161
• Molar Refractivity: 120.012 cm^3
• Polarizability: 47.120625 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