[(4-methoxyphenyl)methyl]({3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl})amine

• ChemBase ID: 190711
• Molecular Formular: C26H31NO2
• Molecular Mass: 389.52984
• Monoisotopic Mass: 389.23547924
• SMILES: c1(C(c2ccccc2)CCNCc2ccc(cc2)OC)ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccc(cc1)CNCCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C26H31NO2/c1-20(2)29-25-15-11-23(12-16-25)26(22-7-5-4-6-8-22)17-18-27-19-21-9-13-24(28-3)14-10-21/h4-16,20,26-27H,17-19H2,1-3H3
• InChIKey: YUUHCQXJXXANCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246621
• PubChem CID: 3517225

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.654833
• LogD (pH = 7.4): 3.432908
• Log P: 5.868161
• Molar Refractivity: 120.012 cm^3
• Polarizability: 47.119728 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