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

C20H19ClN2O — CID 3025622

IUPAC9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCc3ccccc3Cl)c21
InChIInChI=1S/C20H19ClN2O/c21-15-8-3-1-6-13(15)12-22-20-14-7-2-4-9-16(14)23-17-10-5-11-18(24)19(17)20/h1-4,6-9,18,24H,5,10-12H2,(H,22,23)
InChIKeyXFWKEFHMUGMJLM-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.87
Rot. Bonds3

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

9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (PubChem CID 3025622) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
PubChem CID3025622
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCc3ccccc3Cl)c21
InChIInChI=1S/C20H19ClN2O/c21-15-8-3-1-6-13(15)12-22-20-14-7-2-4-9-16(14)23-17-10-5-11-18(24)19(17)20/h1-4,6-9,18,24H,5,10-12H2,(H,22,23)
InChIKeyXFWKEFHMUGMJLM-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-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The IUPAC name of 9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (CID 3025622) is 9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The canonical SMILES for 9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is OC1CCCc2nc3ccccc3c(NCc3ccccc3Cl)c21.
What is the InChIKey of 9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The InChIKey is XFWKEFHMUGMJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-15-8-3-1-6-13(15)12-22-20-14-7-2-4-9-16(14)23-17-10-5-11-18(24)19(17)20/h1-4,6-9,18,24H,5,10-12H2,(H,22,23).
What are the key properties of 9-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
9-[(2-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-[(2-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is sourced from PubChem (CID 3025622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).