Synonyms
Status
Molecule Category Free-form
ATC N06AA15
UNII Z22441975X
EPA CompTox DTXSID6022715

Structure

InChI Key ALELTFCQZDXAMQ-UHFFFAOYSA-N
Smiles CC(CC1c2ccccc2CCc2ccccc21)CN(C)C
InChI
InChI=1S/C21H27N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27N
Molecular Weight 293.45
AlogP 4.5
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Cross References

Resources Reference
ChEBI 135227
ChEMBL CHEMBL2110816
DrugCentral 455
FDA SRS Z22441975X
PubChem 21772
SureChEMBL SCHEMBL49089