1-(4-Chlorophenyl)-3-(diethylamino)propan-1-one
Basic information
- CAS
54835-24-4- Standard SMILES
CCN(CC)CCC(=O)c1ccc(Cl)cc1- InChIKey
LNZLRGODGSSLBH-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-(diethylamino)propan-1-one
- IUPAC
- 1-(4-chlorophenyl)-3-(diethylamino)propan-1-one
Names & synonyms
1-(4-chlorophenyl)-3-(diethylamino)propan-1-one54835-24-4SCHEMBL5953952CHEMBL1192835DTXSID50327375AKOS011910125
Database identifiers
- CAS
54835-24-4- PubChem CID
- 373671
- DTXSID
DTXSID50327375- ChEMBL
CHEMBL1192835
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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