[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl](1-phenylethyl)amine

• ChemBase ID: 189147
• Molecular Formular: C24H33NO
• Molecular Mass: 351.52492
• Monoisotopic Mass: 351.25621468
• SMILES: C1(CC(OCC1)(C)C)(Cc1ccccc1)CCNC(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)NCCC1(CCOC(C1)(C)C)Cc1ccccc1
• InChI: InChI=1S/C24H33NO/c1-20(22-12-8-5-9-13-22)25-16-14-24(15-17-26-23(2,3)19-24)18-21-10-6-4-7-11-21/h4-13,20,25H,14-19H2,1-3H3
• InChIKey: SFBCUWBQBAYOEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl](1-phenylethyl)amine
• IUPAC Traditional name: [2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl](1-phenylethyl)amine

Database IDs

• PubChem SID: 164245057
• PubChem CID: 3329085

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0905342
• LogD (pH = 7.4): 2.7526646
• Log P: 5.312143
• Molar Refractivity: 109.9244 cm^3
• Polarizability: 43.51918 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds