2-{[(4-Chlorophenyl)methyl]amino}cyclopentan-1-one
Basic information
- CAS
59901-07-4- Standard SMILES
O=C1CCCC1NCc1ccc(Cl)cc1- InChIKey
UNMBUPXSUZVDNS-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO
- Average molar mass
- 223.7 g/mol
- Monoisotopic mass
- 223.0763918
Names & identifiers
- Preferred name
- 2-{[(4-Chlorophenyl)methyl]amino}cyclopentan-1-one
- IUPAC
- 2-[(4-chlorophenyl)methylamino]cyclopentan-1-one
Names & synonyms
59901-07-42-{[(4-Chlorophenyl)methyl]amino}cyclopentan-1-oneDTXSID70787018
Database identifiers
- CAS
59901-07-4- PubChem CID
- 71363501
- DTXSID
DTXSID70787018
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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