Basic information
- CAS
65712-49-4- Standard SMILES
Cc1ccccc1C1NC(c2ccccc2C)C2CCCC1C2=O- InChIKey
YFNYBSBZZJUXHR-UHFFFAOYSA-N- Molecular formula
- C22H25NO
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.19361442
Names & identifiers
- Preferred name
- 2,4-Bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-one
- IUPAC
- 2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-one
Names & synonyms
2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-one65712-49-4NSC295521DTXSID80315583NSC-295521
Database identifiers
- CAS
65712-49-4- PubChem CID
- 325916
- DTXSID
DTXSID80315583- Nikkaji
- J1.435.241D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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