6,7-Dimethoxy-1-methyl-2-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline

HCID 47646

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Basic information

CAS: 65492-85-5
Standard SMILES: COc1cc2c(cc1OC)C(C)N(C(C)C)CC2
InChIKey: XYZMYPVDTLUISQ-UHFFFAOYSA-N
Molecular formula: C15H23NO2
Average molar mass: 249.35 g/mol
Monoisotopic mass: 249.17287898

Names & identifiers

Preferred name: 6,7-Dimethoxy-1-methyl-2-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline
IUPAC: 6,7-dimethoxy-1-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
English name: (1S)-6,7-Dimethoxy-1-methyl-2-(1-methylethyl)-1,2,3,4-tetrahydroisoquinoline
Molecular formula: C15H23NO2
Molecular weight: 249.35

Names & synonyms

65492-85-5DTXSID809840916,7-Dimethoxy-1-methyl-2-(propan-2-yl)-1,2,3,4-tetrahydroisoquinolineRefChem:1073596DTXCID401411311IsopropylsalsolidineN-IsopropylsalsolidineBRN 1469584(S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methyl-2-(1-methylethyl)isoquinolineISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-METHYL-2-(1-METHYLETHYL)-, (S)-(1S)-6,7-Dimethoxy-1-methyl-2-(1-methylethyl)-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-2-(1-methylethyl)-, (S)- (9CI)

Database identifiers

CAS: 65492-85-5
PubChem CID: 47646
DTXSID: DTXSID80984091

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 21.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 269

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