(2R,4S)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-ol

• ChemBase ID: 186067
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c12c(N[C@@H](C[C@@H]1O)C)ccc(c2)C
• Canonical SMILES: C[C@@H]1C[C@H](O)c2c(N1)ccc(c2)C
• InChI: InChI=1S/C11H15NO/c1-7-3-4-10-9(5-7)11(13)6-8(2)12-10/h3-5,8,11-13H,6H2,1-2H3/t8-,11+/m1/s1
• InChIKey: RBCNCWKJVVSJAY-KCJUWKMLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,4S)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-ol
• IUPAC Traditional name: (2R,4S)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-ol

Database IDs

• PubChem SID: 164241977
• PubChem CID: 6545263

CALCULATED PROPERTIES

• Acid pKa: 14.418175
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5277652
• LogD (pH = 7.4): 1.5564935
• Log P: 1.5568725
• Molar Refractivity: 55.0943 cm^3
• Polarizability: 20.485363 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Cis Isomer
• Classification: Derivatives & analogs of Natural Compounds