[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl](1-phenylethyl)amine

• ChemBase ID: 187272
• Molecular Formular: C24H33NO
• Molecular Mass: 351.52492
• Monoisotopic Mass: 351.25621468
• SMILES: C1(C(c2ccccc2)CCNC(c2ccccc2)C)CC(OCC1)(C)C
• Canonical SMILES: CC(c1ccccc1)NCCC(C1CCOC(C1)(C)C)c1ccccc1
• InChI: InChI=1S/C24H33NO/c1-19(20-10-6-4-7-11-20)25-16-14-23(21-12-8-5-9-13-21)22-15-17-26-24(2,3)18-22/h4-13,19,22-23,25H,14-18H2,1-3H3
• InChIKey: GUYRJBUAYYRZRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl](1-phenylethyl)amine
• IUPAC Traditional name: [3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl](1-phenylethyl)amine

Database IDs

• PubChem SID: 164243182
• PubChem CID: 5156378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0776823
• LogD (pH = 7.4): 2.7426581
• Log P: 5.2991147
• Molar Refractivity: 109.9979 cm^3
• Polarizability: 43.518234 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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