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

• ChemBase ID: 186262
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c12c(N[C@@H](C[C@@H]1O)C)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)[C@@H](O)C[C@H](N2)C
• InChI: InChI=1S/C11H15NO2/c1-7-5-11(13)9-6-8(14-2)3-4-10(9)12-7/h3-4,6-7,11-13H,5H2,1-2H3/t7-,11+/m1/s1
• InChIKey: MYGAILVHWNDZQG-HQJQHLMTSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242172
• PubChem CID: 7069277

CALCULATED PROPERTIES

• Acid pKa: 14.328078
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7792062
• LogD (pH = 7.4): 0.8842606
• Log P: 0.8857798
• Molar Refractivity: 56.5163 cm^3
• Polarizability: 21.233723 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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