Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2,3,4-trichlorophenethyl)-

HCID 45499

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Basic information

CAS: 63937-61-1
Standard SMILES: COc1cc2c(cc1OC)C(CCc1ccc(Cl)c(Cl)c1Cl)N(C)CC2
InChIKey: WZUMCRQKXQMYEY-UHFFFAOYSA-N
Molecular formula: C20H22Cl3NO2
Average molar mass: 414.7 g/mol
Monoisotopic mass: 413.071612

Names & identifiers

Preferred name: Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2,3,4-trichlorophenethyl)-
IUPAC: 6,7-dimethoxy-2-methyl-1-[2-(2,3,4-trichlorophenyl)ethyl]-3,4-dihydro-1H-isoquinoline
English name: 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-(2,3,4-trichlorophenethyl)isoquinoline
Molecular formula: C20H22Cl3NO2
Molecular weight: 414.75

Names & synonyms

63937-61-11-(2,3,4-Trichlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2,3,4-trichlorophenethyl)-Isoquinoline, 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-(2,3,4-trichlorophenethyl)-RefChem:3499446,7-DIMETHOXY-2-METHYL-1-(2,3,4-TRICHLOROPHENETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINEDTXSID709811901,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-(2,3,4-trichlorophenethyl)isoquinoline6,7-Dimethoxy-2-methyl-1-[2-(2,3,4-trichlorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolineDB-2909816,7-dimethoxy-2-methyl-1-[2-(2,3,4-trichlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolineIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[2-(2,3,4-trichlorophenyl)ethyl]-

Database identifiers

CAS: 63937-61-1
PubChem CID: 45499
DTXSID: DTXSID70981190
Nikkaji: J94.691E

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 21.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 455

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