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

• ChemBase ID: 190859
• Molecular Formular: C24H33NO2
• Molecular Mass: 367.52432
• Monoisotopic Mass: 367.2511293
• SMILES: C1(OCCC(C1)CNCCC(c1ccc(cc1)OC)c1ccccc1)(C)C
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)CCNCC1CCOC(C1)(C)C
• InChI: InChI=1S/C24H33NO2/c1-24(2)17-19(14-16-27-24)18-25-15-13-23(20-7-5-4-6-8-20)21-9-11-22(26-3)12-10-21/h4-12,19,23,25H,13-18H2,1-3H3
• InChIKey: FWQXNBIMBQJMNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246769
• PubChem CID: 4367683

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4098506
• LogD (pH = 7.4): 1.6862464
• Log P: 4.646915
• Molar Refractivity: 112.1193 cm^3
• Polarizability: 44.15256 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