Structure

InChI Key MNMGNPZLUMHSKK-UHFFFAOYSA-N
Smiles Br.CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1
InChI
InChI=1S/C22H27NO.BrH/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17;/h3-9,15-16,21,24H,10-14H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28BrNO
Molecular Weight 402.38
AlogP 4.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Cross References

Resources Reference
ChEMBL CHEMBL2107297
FDA SRS C1749020IH
PubChem 13501022
SureChEMBL SCHEMBL396395