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

• ChemBase ID: 191387
• Molecular Formular: C29H37NO3
• Molecular Mass: 447.60898
• Monoisotopic Mass: 447.27734405
• SMILES: c1(C(c2ccc(OC(C)C)cc2)CCNCc2ccc(OC(C)C)cc2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCNCc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C29H37NO3/c1-21(2)32-25-14-10-23(11-15-25)20-30-19-18-27(28-8-6-7-9-29(28)31-5)24-12-16-26(17-13-24)33-22(3)4/h6-17,21-22,27,30H,18-20H2,1-5H3
• InChIKey: SUVGWYORIDFDCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247297
• PubChem CID: 4342728

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2734513
• LogD (pH = 7.4): 4.0853877
• Log P: 6.483873
• Molar Refractivity: 135.6426 cm^3
• Polarizability: 53.296417 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds