7-[(dimethylamino)methyl]-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-ol

• ChemBase ID: 123957
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: c12NC(CC(c1cc(c(c2)CN(C)C)O)C)(C)C
• Canonical SMILES: CN(Cc1cc2NC(C)(C)CC(c2cc1O)C)C
• InChI: InChI=1S/C15H24N2O/c1-10-8-15(2,3)16-13-6-11(9-17(4)5)14(18)7-12(10)13/h6-7,10,16,18H,8-9H2,1-5H3
• InChIKey: DBWVOACIXQVUNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(dimethylamino)methyl]-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-ol
• IUPAC Traditional name: 7-[(dimethylamino)methyl]-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-ol
• Synonyms: 7-((dimethylamino)methyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-ol

Database IDs

• PubChem SID: 162218310
• PubChem CID: 16653166

CALCULATED PROPERTIES

• Acid pKa: 4.832465
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1811796
• LogD (pH = 7.4): 0.4068151
• Log P: 1.9116981
• Molar Refractivity: 78.2916 cm^3
• Polarizability: 29.372147 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true