6,7-dimethoxy-3,3-dimethyl-1-phenyl-3,4-dihydroisoquinoline hydrochloride

• ChemBase ID: 184340
• Molecular Formular: C19H22ClNO2
• Molecular Mass: 331.83648
• Monoisotopic Mass: 331.13390663
• SMILES: C1(=NC(Cc2c1cc(c(c2)OC)OC)(C)C)c1ccccc1.Cl
• Canonical SMILES: COc1cc2c(cc1OC)CC(N=C2c1ccccc1)(C)C.Cl
• InChI: InChI=1S/C19H21NO2.ClH/c1-19(2)12-14-10-16(21-3)17(22-4)11-15(14)18(20-19)13-8-6-5-7-9-13;/h5-11H,12H2,1-4H3;1H
• InChIKey: VGZALERTSWMDAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-3,3-dimethyl-1-phenyl-3,4-dihydroisoquinoline hydrochloride
• IUPAC Traditional name: 6,7-dimethoxy-3,3-dimethyl-1-phenyl-4H-isoquinoline hydrochloride

Database IDs

• PubChem SID: 164240250
• PubChem CID: 2849207

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7325988
• LogD (pH = 7.4): 4.0836854
• Log P: 4.090634
• Molar Refractivity: 88.8803 cm^3
• Polarizability: 34.074158 Å^3
• Polar Surface Area: 30.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds