[3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl](1-phenylethyl)amine

• ChemBase ID: 190883
• Molecular Formular: C27H33NO
• Molecular Mass: 387.55702
• Monoisotopic Mass: 387.25621468
• SMILES: C(c1ccc(OC(C)C)cc1)(c1ccc(cc1)C)CCNC(c1ccccc1)C
• Canonical SMILES: Cc1ccc(cc1)C(c1ccc(cc1)OC(C)C)CCNC(c1ccccc1)C
• InChI: InChI=1S/C27H33NO/c1-20(2)29-26-16-14-25(15-17-26)27(24-12-10-21(3)11-13-24)18-19-28-22(4)23-8-6-5-7-9-23/h5-17,20,22,27-28H,18-19H2,1-4H3
• InChIKey: GSDFCHVNBSMNQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246793
• PubChem CID: 3697756

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7326255
• LogD (pH = 7.4): 4.368036
• Log P: 6.9558287
• Molar Refractivity: 123.0088 cm^3
• Polarizability: 48.26039 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds