1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1H-isoquinoline

HCID 334174

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Basic information

CAS: 2246-26-6
Standard SMILES: COc1ccc(CC2c3cc(OC)c(OC)cc3C=CN2C)cc1OC
InChIKey: JTPHLUJGSNTOFP-UHFFFAOYSA-N
Molecular formula: C21H25NO4
Average molar mass: 355.4 g/mol
Monoisotopic mass: 355.17835828

Names & identifiers

Preferred name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1H-isoquinoline
IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1H-isoquinoline

Names & synonyms

2246-26-6NSC3385581-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1H-isoquinoline1,2-Dihydro-2-methylpapaverineSCHEMBL28629145DTXSID20319020JTPHLUJGSNTOFP-UHFFFAOYSA-NNSC-3385581-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2-dihydroisoquinoline #1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2-dihydroisoquinoline

Database identifiers

CAS: 2246-26-6
PubChem CID: 334174
DTXSID: DTXSID20319020

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 40.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 471

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