(3,3-diphenylpropyl)[4-(2,4,5-trimethoxyphenyl)butan-2-yl]amine hydrochloride

• ChemBase ID: 183217
• Molecular Formular: C28H36ClNO3
• Molecular Mass: 470.04334
• Monoisotopic Mass: 469.2383717
• SMILES: c1c(c(cc(c1OC)OC)CCC(NCCC(c1ccccc1)c1ccccc1)C)OC.Cl
• Canonical SMILES: COc1cc(OC)c(cc1CCC(NCCC(c1ccccc1)c1ccccc1)C)OC.Cl
• InChI: InChI=1S/C28H35NO3.ClH/c1-21(15-16-24-19-27(31-3)28(32-4)20-26(24)30-2)29-18-17-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23;/h5-14,19-21,25,29H,15-18H2,1-4H3;1H
• InChIKey: QYYDHSMELSBGDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,3-diphenylpropyl)[4-(2,4,5-trimethoxyphenyl)butan-2-yl]amine hydrochloride
• IUPAC Traditional name: (3,3-diphenylpropyl)[4-(2,4,5-trimethoxyphenyl)butan-2-yl]amine hydrochloride

Database IDs

• PubChem SID: 164239127
• PubChem CID: 24747640

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8513248
• LogD (pH = 7.4): 3.1843116
• Log P: 6.0869117
• Molar Refractivity: 131.0826 cm^3
• Polarizability: 51.377453 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds