Basic information
- Standard SMILES
C[C@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)N1- InChIKey
ZQDFASFYUFIEFO-MEDUHNTESA-N- Molecular formula
- C16H16BrN
- Average molar mass
- 302.21 g/mol
- Monoisotopic mass
- 301.04661
Names & identifiers
- Preferred name
- (1R,3S)-1-(4-bromophenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- (1R,3S)-1-(4-bromophenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline
Names & synonyms
SCHEMBL3069675ZQDFASFYUFIEFO-MEDUHNTESA-N(1R,3S)-1-(4-bromophenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- PubChem CID
- 59536341
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Related reactions
3 records
Compound notes
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