N,N-dimethyl-4-[(1R,5R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]aniline

• ChemBase ID: 185084
• Molecular Formular: C19H27NO
• Molecular Mass: 285.42378
• Monoisotopic Mass: 285.20926449
• SMILES: C1(=CC([C@@H]2C([C@H]1C(OC2)c1ccc(N(C)C)cc1)C)C)C
• Canonical SMILES: CC1=CC(C)[C@@H]2C([C@H]1C(OC2)c1ccc(cc1)N(C)C)C
• InChI: InChI=1S/C19H27NO/c1-12-10-13(2)18-14(3)17(12)11-21-19(18)15-6-8-16(9-7-15)20(4)5/h6-10,12,14,17-19H,11H2,1-5H3/t12?,14?,17-,18+,19?/m1/s1
• InChIKey: YCEDBHNMTCHTON-JEFMWNAHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-[(1R,5R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]aniline
• IUPAC Traditional name: N,N-dimethyl-4-[(1R,5R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]aniline

Database IDs

• PubChem SID: 164240994
• PubChem CID: 44891290

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9576411
• LogD (pH = 7.4): 4.032424
• Log P: 4.033466
• Molar Refractivity: 90.1037 cm^3
• Polarizability: 34.429607 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds