Basic information
- Standard SMILES
Cc1ccc(C2(O)CCCc3c(Br)cncc32)cc1C- InChIKey
ZQIIFPSATGYEIS-UHFFFAOYSA-N- Molecular formula
- C17H18BrNO
- Average molar mass
- 332.2 g/mol
Names & identifiers
- Preferred name
- (rac)-4-Bromo-8-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroisoquinolin-8-ol
- IUPAC
- 4-bromo-8-(3,4-dimethylphenyl)-6,7-dihydro-5H-isoquinolin-8-ol
Names & synonyms
SCHEMBL15311959ZQIIFPSATGYEIS-UHFFFAOYSA-N(rac)-4-Bromo-8-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroisoquinolin-8-ol
Database identifiers
- PubChem CID
- 89846267
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
2 records
Compound notes
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