Basic information
- Standard SMILES
Cc1cccc(C2=NCCc3ccccc32)c1Br- InChIKey
KNRCXPJFDOSAEM-UHFFFAOYSA-N- Molecular formula
- C16H14BrN
- Average molar mass
- 300.19 g/mol
- Monoisotopic mass
- 299.03096
Names & identifiers
- Preferred name
- 1-(2-Bromo-3-methylphenyl)-3,4-dihydroisoquinoline
- IUPAC
- 1-(2-bromo-3-methylphenyl)-3,4-dihydroisoquinoline
Names & synonyms
1-(2-bromo-3-methylphenyl)-3,4-dihydroisoquinoline1319196-67-2SCHEMBL2226165KNRCXPJFDOSAEM-UHFFFAOYSA-NDA-12376
Database identifiers
- PubChem CID
- 67324653
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Related reactions
2 records
Compound notes
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