[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]amine

• ChemBase ID: 185475
• Molecular Formular: C24H33NO2
• Molecular Mass: 367.52432
• Monoisotopic Mass: 367.2511293
• SMILES: C1(C(c2ccccc2)CCNCc2ccc(cc2)OC)CC(OCC1)(C)C
• Canonical SMILES: COc1ccc(cc1)CNCCC(c1ccccc1)C1CCOC(C1)(C)C
• InChI: InChI=1S/C24H33NO2/c1-24(2)17-21(14-16-27-24)23(20-7-5-4-6-8-20)13-15-25-18-19-9-11-22(26-3)12-10-19/h4-12,21,23,25H,13-18H2,1-3H3
• InChIKey: HBNBFAARFWTUME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl][(4-methoxyphenyl)methyl]amine

Database IDs

• PubChem SID: 164241385
• PubChem CID: 2877775

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5133599
• LogD (pH = 7.4): 2.3129666
• Log P: 4.724869
• Molar Refractivity: 112.0423 cm^3
• Polarizability: 44.15197 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds