Structure

InChI Key RJPZIQRLRMWPRF-UHFFFAOYSA-N
Smile CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21.Cl
InChI
InChI=1S/C18H21N3O.ClH/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;/h4-11H,12-13H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22ClN3O
Molecular Weight 331.85
AlogP 2.98
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 26.79
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31476
ChEMBL CHEMBL2104287
EPA CompTox DTXSID5048421
FDA SRS JLN0273S4Z
PubChem 443945
SureChEMBL SCHEMBL668219