6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

• ChemBase ID: 119559
• Molecular Formular: C20H25NO5
• Molecular Mass: 359.4162
• Monoisotopic Mass: 359.17327291
• SMILES: c12C(c3cc(c(c(c3)OC)OC)OC)NCCc2cc(c(c1)OC)OC
• Canonical SMILES: COc1cc2CCNC(c2cc1OC)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C20H25NO5/c1-22-15-8-12-6-7-21-19(14(12)11-16(15)23-2)13-9-17(24-3)20(26-5)18(10-13)25-4/h8-11,19,21H,6-7H2,1-5H3
• InChIKey: UGOVBXCSQHMXPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
• IUPAC Traditional name: 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
• Synonyms: 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

Database IDs

• PubChem SID: 162107664
• PubChem CID: 2825094

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.014982548
• LogD (pH = 7.4): 1.7473092
• Log P: 2.567367
• Molar Refractivity: 99.2144 cm^3
• Polarizability: 38.75316 Å^3
• Polar Surface Area: 58.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds