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

• ChemBase ID: 188901
• Molecular Formular: C25H35NO
• Molecular Mass: 365.5515
• Monoisotopic Mass: 365.27186475
• SMILES: C1(OCCC(C1)C(Cc1ccccc1)CCNC(c1ccccc1)C)(C)C
• Canonical SMILES: CC(c1ccccc1)NCCC(C1CCOC(C1)(C)C)Cc1ccccc1
• InChI: InChI=1S/C25H35NO/c1-20(22-12-8-5-9-13-22)26-16-14-23(18-21-10-6-4-7-11-21)24-15-17-27-25(2,3)19-24/h4-13,20,23-24,26H,14-19H2,1-3H3
• InChIKey: RWXOIELWFZDPDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244811
• PubChem CID: 3436870

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5232651
• LogD (pH = 7.4): 3.2042546
• Log P: 5.7436833
• Molar Refractivity: 114.5989 cm^3
• Polarizability: 45.36626 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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