benzyl[3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propyl]amine

• ChemBase ID: 189829
• Molecular Formular: C24H33NO2
• Molecular Mass: 367.52432
• Monoisotopic Mass: 367.2511293
• SMILES: C1(C(c2ccc(cc2)OC)CCNCc2ccccc2)CC(OCC1)(C)C
• Canonical SMILES: COc1ccc(cc1)C(C1CCOC(C1)(C)C)CCNCc1ccccc1
• InChI: InChI=1S/C24H33NO2/c1-24(2)17-21(14-16-27-24)23(20-9-11-22(26-3)12-10-20)13-15-25-18-19-7-5-4-6-8-19/h4-12,21,23,25H,13-18H2,1-3H3
• InChIKey: YWTIARYUAOPLGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245739
• PubChem CID: 2900565

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5069104
• LogD (pH = 7.4): 2.2243035
• Log P: 4.724869
• Molar Refractivity: 112.0423 cm^3
• Polarizability: 44.151566 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