Basic information
- CAS
745066-39-1- Standard SMILES
OC1CC2C3CC(CN(Cc4ccccc4)C3)C2C1O- InChIKey
CPJQLTKBAMZDBW-UHFFFAOYSA-N- Molecular formula
- C17H23NO2
- Average molar mass
- 273.37 g/mol
- Monoisotopic mass
- 273.17287898
Names & identifiers
- Preferred name
- 3-Benzyldecahydro-1,5-methanocyclopenta[d]azepine-6,7-diol
- IUPAC
- 9-benzyl-9-azatricyclo[5.3.1.02,6]undecane-3,4-diol
Names & synonyms
745066-39-13-Benzyldecahydro-1,5-methanocyclopenta[d]azepine-6,7-diolSCHEMBL3836225DTXSID40733168CPJQLTKBAMZDBW-UHFFFAOYSA-N9-Benzyl-9-aza-tricyclo[5.3.1.02,6]undecane-3,4-diol9-(Phenylmethyl)-9-azatricyclo[5.3.1.02,6]undecane-3,4-diol
Database identifiers
- CAS
745066-39-1- PubChem CID
- 59837862
- DTXSID
DTXSID40733168
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Related reactions
2 records
Compound notes
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