CHEMBL4070182
C₂₂H₂₃ClN₂O₂·382.900 g/mol·CID 122199179
IUPAC: 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
Also known as: BDBM199190, 6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-9-amine (9e)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
382.900g/mol
Exact Mass
382.144806Da
Monoisotopic Mass
382.144806Da
XLogP
5.5
Polar Surface Area
43.4Ų
Complexity
479
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
4
Rotatable Bonds
5
Heavy Atoms
27
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 382.9 g/mol
MW ≤ 500
✗ 5.5
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C22H23ClN2O2/c1-26-20-10-7-14(11-21(20)27-2)13-24-22-16-5-3-4-6-18(16)25-19-12-15(23)8-9-17(19)22/h7-12H,3-6,13H2,1-2H3,(H,24,25)