Basic information
- CAS
80041-81-2- Standard SMILES
COc1cc2c(cc1OC)C(Cc1ccccc1Br)=NCC2- InChIKey
BIGSGTZFHCVVBJ-UHFFFAOYSA-N- Molecular formula
- C18H18BrNO2
- Average molar mass
- 360.2 g/mol
- Monoisotopic mass
- 359.05209
Names & identifiers
- Preferred name
- 1-[(2-Bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
- IUPAC
- 1-[(2-bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Names & synonyms
80041-81-21-(2-bromobenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline1-[(2-Bromophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolineSCHEMBL26368511DTXSID70581558
Database identifiers
- CAS
80041-81-2- PubChem CID
- 16050331
- DTXSID
DTXSID70581558- Nikkaji
- J1.310.916H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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