6,7-Dimethoxy-1-methyl-2-phenyl-1,2,3,4-tetrahydroisoquinoline

HCID 47645

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Basic information

CAS: 65492-84-4
Standard SMILES: COc1cc2c(cc1OC)C(C)N(c1ccccc1)CC2
InChIKey: LRJDHHZOZBJLMX-UHFFFAOYSA-N
Molecular formula: C18H21NO2
Average molar mass: 283.4 g/mol
Monoisotopic mass: 283.15722891

Names & identifiers

Preferred name: 6,7-Dimethoxy-1-methyl-2-phenyl-1,2,3,4-tetrahydroisoquinoline
IUPAC: 6,7-dimethoxy-1-methyl-2-phenyl-3,4-dihydro-1H-isoquinoline
English name: (1S)-6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-2-phenylisoquinoline
Molecular formula: C18H21NO2
Molecular weight: 283.36

Names & synonyms

65492-84-4DTXSID209840906,7-Dimethoxy-1-methyl-2-phenyl-1,2,3,4-tetrahydroisoquinolineRefChem:1073597DTXCID701411310Phenylsalsolidine1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methyl-2-phenyl-isoquinolineISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-METHYL-2-PHENYL-, (S)-(1S)-6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-2-phenylisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-2-phenyl-, (S)- (9CI)

Database identifiers

CAS: 65492-84-4
PubChem CID: 47645
DTXSID: DTXSID20984090

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 21.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 329

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