(5r,7r)-2-[4-(benzyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane

• ChemBase ID: 210495
• Molecular Formular: C23H28N2O
• Molecular Mass: 348.48122
• Monoisotopic Mass: 348.22016353
• SMILES: N12C(N3C[C@@](C1)(C[C@](C3)(C2)C)C)c1ccc(OCc2ccccc2)cc1
• Canonical SMILES: C[C@]12CN3C[C@@](C2)(CN(C1)C3c1ccc(cc1)OCc1ccccc1)C
• InChI: InChI=1S/C23H28N2O/c1-22-13-23(2)16-24(14-22)21(25(15-22)17-23)19-8-10-20(11-9-19)26-12-18-6-4-3-5-7-18/h3-11,21H,12-17H2,1-2H3/t21?,22-,23+
• InChIKey: YRAWKOXBZUEKEN-NOTZXAQLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5r,7r)-2-[4-(benzyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decane
• IUPAC Traditional name: (1r,5R,7S)-2-[4-(benzyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decane

Database IDs

• PubChem SID: 164266405
• PubChem CID: 1793110

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7989538
• LogD (pH = 7.4): 4.6067634
• Log P: 4.6378922
• Molar Refractivity: 105.3414 cm^3
• Polarizability: 41.76352 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds