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

• ChemBase ID: 196936
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: N12C(N3C[C@](C2)(C[C@](C1)(C3)C)C)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C1N2C[C@]3(CN1C[C@@](C2)(C3)C)C
• InChI: InChI=1S/C18H26N2O2/c1-17-8-18(2)11-19(9-17)16(20(10-17)12-18)13-5-6-14(21-3)15(7-13)22-4/h5-7,16H,8-12H2,1-4H3/t16?,17-,18+
• InChIKey: SWLNULCAKOYTBE-AYHJJNSGSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252846
• PubChem CID: 652950

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2752204
• LogD (pH = 7.4): 2.744823
• Log P: 2.755748
• Molar Refractivity: 87.192 cm^3
• Polarizability: 34.64381 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds