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

HCID 1069676

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Basic information

CAS: 331855-51-7
Standard SMILES: COc1cc2c(cc1OC)CN(Cc1cc(Br)cs1)CC2
InChIKey: JBOJMORTUYSXSW-UHFFFAOYSA-N
Molecular formula: C16H18BrNO2S
Average molar mass: 368.3 g/mol
Monoisotopic mass: 367.02416

Names & identifiers

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

Names & synonyms

331855-51-72-[(4-Bromo-2-thienyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolineOprea1_122192DTXSID8011448632-[(4-bromothiophen-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolineAKOS0110125742-[(4-bromo-2-thienyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline2-[(4-Bromothiophen-2-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Database identifiers

CAS: 331855-51-7
PubChem CID: 1069676
DTXSID: DTXSID801144863

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 346

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