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

C20H19ClN2O — CID 3025623

IUPAC9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCc3ccc(Cl)cc3)c21
InChIInChI=1S/C20H19ClN2O/c21-14-10-8-13(9-11-14)12-22-20-15-4-1-2-5-16(15)23-17-6-3-7-18(24)19(17)20/h1-2,4-5,8-11,18,24H,3,6-7,12H2,(H,22,23)
InChIKeyHEKGBDCRHYILPL-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.87
Rot. Bonds3

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

9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (PubChem CID 3025623) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
PubChem CID3025623
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCc3ccc(Cl)cc3)c21
InChIInChI=1S/C20H19ClN2O/c21-14-10-8-13(9-11-14)12-22-20-15-4-1-2-5-16(15)23-17-6-3-7-18(24)19(17)20/h1-2,4-5,8-11,18,24H,3,6-7,12H2,(H,22,23)
InChIKeyHEKGBDCRHYILPL-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

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The IUPAC name of 9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (CID 3025623) is 9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The canonical SMILES for 9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is OC1CCCc2nc3ccccc3c(NCc3ccc(Cl)cc3)c21.
What is the InChIKey of 9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The InChIKey is HEKGBDCRHYILPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-14-10-8-13(9-11-14)12-22-20-15-4-1-2-5-16(15)23-17-6-3-7-18(24)19(17)20/h1-2,4-5,8-11,18,24H,3,6-7,12H2,(H,22,23).
What are the key properties of 9-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
9-[(4-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-[(4-chlorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is sourced from PubChem (CID 3025623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).