Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(p-fluorobenzyl)-, hydrobromide
Basic information
- CAS
36271-57-5- Standard SMILES
COc1cc2c(cc1OC)C(Cc1ccc(F)cc1)[NH2+]CC2.[Br-]- InChIKey
OHKFWJPILGEJHR-UHFFFAOYSA-N- Molecular formula
- C18H21BrFNO2
- Average molar mass
- 382.3 g/mol
- Monoisotopic mass
- 381.07397
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(p-fluorobenzyl)-, hydrobromide
- IUPAC
- 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Names & synonyms
6,7-Dimethoxy-1-(p-fluorobenzyl)-1,2,3,4-tetrahydroisoquinoline hydrobromide36271-57-5Bromure de dimethoxy-6,7 tetrahydro-1,2,3,4 para-fluorobenzyl-1 isoquinoleine [French]ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-(p-FLUOROBENZYL)-, HYDROBROMIDEBromure de dimethoxy-6,7 tetrahydro-1,2,3,4 para-fluorobenzyl-1 isoquinoleineRefChem:349943
Database identifiers
- CAS
36271-57-5- PubChem CID
- 37410
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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