Structure

InChI Key MPJUSISYVXABBH-UHFFFAOYSA-N
Smile CCC1(c2cccc(O)c2)CCCCN(C)C1.Cl
InChI
InChI=1S/C15H23NO.ClH/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24ClNO
Molecular Weight 269.82
AlogP 3.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1477274
EPA CompTox DTXSID3045485
FDA SRS T62FQ4ZCPA
PubChem 65483
SureChEMBL SCHEMBL124401