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

• ChemBase ID: 186518
• Molecular Formular: C24H33NO2
• Molecular Mass: 367.52432
• Monoisotopic Mass: 367.2511293
• SMILES: c1(C(C2CC(OCC2)(C)C)CCNCc2ccccc2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(C1CCOC(C1)(C)C)CCNCc1ccccc1
• InChI: InChI=1S/C24H33NO2/c1-24(2)17-20(14-16-27-24)21(22-11-7-8-12-23(22)26-3)13-15-25-18-19-9-5-4-6-10-19/h4-12,20-21,25H,13-18H2,1-3H3
• InChIKey: HWUFYAOJZSCVJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242428
• PubChem CID: 3145033

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5100462
• LogD (pH = 7.4): 2.2695255
• Log P: 4.724869
• Molar Refractivity: 112.0423 cm^3
• Polarizability: 44.15315 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds