Basic information
- Standard SMILES
CCN(CC)CCN1C(=O)c2ccccc2C1c1ccc(N(C)C)cc1- InChIKey
SCTZBPLHIAVSMM-UHFFFAOYSA-N- Molecular formula
- C22H29N3O
- Average molar mass
- 351.5 g/mol
Names & identifiers
- Preferred name
- 2-(2-Diethylaminoethyl)-3-(4-dimethylaminophenyl)isoindolin-1-one
- IUPAC
- 2-[2-(diethylamino)ethyl]-3-[4-(dimethylamino)phenyl]-3H-isoindol-1-one
Names & synonyms
SCHEMBL9669081SCTZBPLHIAVSMM-UHFFFAOYSA-N2-(2-diethylaminoethyl)-3-(4-dimethylaminophenyl)isoindolin-1-one
Database identifiers
- PubChem CID
- 3088045
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 454
Related reactions
2 records
Compound notes
Loading…