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

• ChemBase ID: 123583
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: c12c(C(=CC(N1)(C)C)C)cc(c(c2)CN(C)C)O
• Canonical SMILES: CN(Cc1cc2NC(C)(C)C=C(c2cc1O)C)C
• InChI: InChI=1S/C15H22N2O/c1-10-8-15(2,3)16-13-6-11(9-17(4)5)14(18)7-12(10)13/h6-8,16,18H,9H2,1-5H3
• InChIKey: HHMUJCRASAIBQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162217936
• PubChem CID: 2835209

CALCULATED PROPERTIES

• Acid pKa: 8.7748995
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.907731
• LogD (pH = 7.4): 0.70568657
• Log P: 1.8478621
• Molar Refractivity: 78.9876 cm^3
• Polarizability: 29.289114 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds