(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

• ChemBase ID: 119566
• Molecular Formular: C12H18ClNO2
• Molecular Mass: 243.72982
• Monoisotopic Mass: 243.1026065
• SMILES: c12cc(c(cc1CCN[C@@H]2C)OC)OC.Cl
• Canonical SMILES: COc1cc2[C@@H](C)NCCc2cc1OC.Cl
• InChI: InChI=1S/C12H17NO2.ClH/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;/h6-8,13H,4-5H2,1-3H3;1H/t8-;/m1./s1
• InChIKey: UJXLTDHDLUBZBL-DDWIOCJRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
• IUPAC Traditional name: (1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
• Synonyms: (R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Database IDs

• PubChem SID: 162107667
• PubChem CID: 12315215

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4352932
• LogD (pH = 7.4): -0.10311112
• Log P: 1.6727157
• Molar Refractivity: 59.9608 cm^3
• Polarizability: 23.443918 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Genuine Natural Compounds