9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol

C20H19ClN2O — CID 3025630

IUPAC9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCc3cccc(Cl)c3)c21
InChIInChI=1S/C20H19ClN2O/c21-14-6-3-5-13(11-14)12-22-20-15-7-1-2-8-16(15)23-17-9-4-10-18(24)19(17)20/h1-3,5-8,11,18,24H,4,9-10,12H2,(H,22,23)
InChIKeyPAKRGUABUWIYQH-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.87
Rot. Bonds3

About 9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol

9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (PubChem CID 3025630) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
PubChem CID3025630
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCc3cccc(Cl)c3)c21
InChIInChI=1S/C20H19ClN2O/c21-14-6-3-5-13(11-14)12-22-20-15-7-1-2-8-16(15)23-17-9-4-10-18(24)19(17)20/h1-3,5-8,11,18,24H,4,9-10,12H2,(H,22,23)
InChIKeyPAKRGUABUWIYQH-UHFFFAOYSA-N
XLogP4.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol with MolForge

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Related Compounds

Velnacrine
CID 3655
Suronacrine
CID 60601
1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro-
CID 3025607
1-Acridinol, 1,2,3,4-tetrahydro-6-fluoro-9-((phenylmethyl)amino)-
CID 3025610
9-(Benzylimino)-6-chloro-1,2,3,4,9,10-hexahydroacridin-1-ol
CID 3025611
1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-methylphenyl)methyl)amino)-
CID 3025613
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-methylphenyl)methyl)amino)-
CID 3025614
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-fluorophenyl)methyl)amino)-
CID 3025619
1-Acridinol, 1,2,3,4-tetrahydro-6-chloro-9-(((4-fluorophenyl)methyl)amino)-
CID 3025621
1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-chlorophenyl)methyl)amino)-
CID 3025622
9-(((2-(Trifluoromethyl)phenyl)methyl)imino)-1,2,3,4,9,10-hexahydroacridin-1-ol
CID 3025624
1-Acridinol, 1,2,3,4-tetrahydro-6-fluoro-9-(((2-(trifluoromethyl)phenyl)methyl)amino)-
CID 3025625

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The IUPAC name of 9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (CID 3025630) is 9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The canonical SMILES for 9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is OC1CCCc2nc3ccccc3c(NCc3cccc(Cl)c3)c21.
What is the InChIKey of 9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The InChIKey is PAKRGUABUWIYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-14-6-3-5-13(11-14)12-22-20-15-7-1-2-8-16(15)23-17-9-4-10-18(24)19(17)20/h1-3,5-8,11,18,24H,4,9-10,12H2,(H,22,23).
What are the key properties of 9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol has a molecular weight of 338.84 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is sourced from PubChem (CID 3025630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).