Basic information
- Standard SMILES
C[C@H]1Cc2c(Cl)cccc2[C@H]2CN(Cc3ccccc3)C[C@@]21C- InChIKey
RNZVGMSHVBJLQP-NYSBEXSLSA-N- Molecular formula
- C21H24ClN
- Average molar mass
- 325.9 g/mol
Names & identifiers
- Preferred name
- (3aR*,4S*,9bR*)-2-benzyl-6-chloro-3a,4-dimethyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole
- IUPAC
- (3aR,4S,9bR)-2-benzyl-6-chloro-3a,4-dimethyl-3,4,5,9b-tetrahydro-1H-benzo[e]isoindole
Names & synonyms
SCHEMBL12099457RNZVGMSHVBJLQP-NYSBEXSLSA-N(3aR*,4S*,9bR*)-2-benzyl-6-chloro-3a,4-dimethyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole
Database identifiers
- PubChem CID
- 46909231
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Related reactions
1 records
Compound notes
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