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

• ChemBase ID: 190728
• Molecular Formular: C27H33NO2
• Molecular Mass: 403.55642
• Monoisotopic Mass: 403.2511293
• SMILES: c1(C(c2ccc(cc2)C)CCNCc2ccc(cc2)OC)ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccc(cc1)CNCCC(c1ccc(cc1)OC(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C27H33NO2/c1-20(2)30-26-15-11-24(12-16-26)27(23-9-5-21(3)6-10-23)17-18-28-19-22-7-13-25(29-4)14-8-22/h5-16,20,27-28H,17-19H2,1-4H3
• InChIKey: YJHFNULWAQEHJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246638
• PubChem CID: 4436407

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1675313
• LogD (pH = 7.4): 3.936716
• Log P: 6.3815827
• Molar Refractivity: 125.0532 cm^3
• Polarizability: 48.88547 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