[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl][1-(4-methoxyphenyl)ethyl]amine

• ChemBase ID: 190836
• Molecular Formular: C28H35NO3
• Molecular Mass: 433.5824
• Monoisotopic Mass: 433.26169399
• SMILES: c1(C(c2ccc(OC(C)C)cc2)CCNC(c2ccc(cc2)OC)C)c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)C(NCCC(c1ccccc1OC)c1ccc(cc1)OC(C)C)C
• InChI: InChI=1S/C28H35NO3/c1-20(2)32-25-16-12-23(13-17-25)26(27-8-6-7-9-28(27)31-5)18-19-29-21(3)22-10-14-24(30-4)15-11-22/h6-17,20-21,26,29H,18-19H2,1-5H3
• InChIKey: HJQQHUQIDZOELS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl][1-(4-methoxyphenyl)ethyl]amine
• IUPAC Traditional name: [3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl][1-(4-methoxyphenyl)ethyl]amine

Database IDs

• PubChem SID: 164246746
• PubChem CID: 2965324

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9110842
• LogD (pH = 7.4): 3.6555269
• Log P: 6.1270647
• Molar Refractivity: 130.894 cm^3
• Polarizability: 51.45029 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds