Basic information
- Standard SMILES
CN1[C@H]2CC[C@@H]1[C@@H](C=O)[C@@H](c1ccc(Cl)cc1)C2- InChIKey
HOVSGEDRYGNHHA-LJISPDSOSA-N- Molecular formula
- C15H18ClNO
- Average molar mass
- 263.76 g/mol
- Monoisotopic mass
- 263.1076919
Names & identifiers
- Preferred name
- 3beta-(4-Chlorophenyl)-2beta-formyltropane
- IUPAC
- (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carbaldehyde
Names & synonyms
SCHEMBL9260009HOVSGEDRYGNHHA-LJISPDSOSA-N3beta-(4-chlorophenyl)-2beta-formyltropane
Database identifiers
- PubChem CID
- 10015643
- Nikkaji
- J668.712A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Related reactions
1 records
Compound notes
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