5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol

C18H23ClN2O — CID 67607785

IUPAC5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol
SMILESOCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C18H23ClN2O/c19-13-8-9-15-17(12-13)21-16-7-3-2-6-14(16)18(15)20-10-4-1-5-11-22/h8-9,12,22H,1-7,10-11H2,(H,20,21)
InChIKeyARSGUIQKWDCIOR-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.34
Rot. Bonds6

About 5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol

5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol (PubChem CID 67607785) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol
PubChem CID67607785
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol
SMILESOCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C18H23ClN2O/c19-13-8-9-15-17(12-13)21-16-7-3-2-6-14(16)18(15)20-10-4-1-5-11-22/h8-9,12,22H,1-7,10-11H2,(H,20,21)
InChIKeyARSGUIQKWDCIOR-UHFFFAOYSA-N
XLogP4.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol (CID 67607785) is 5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol is OCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of 5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol?
The InChIKey is ARSGUIQKWDCIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c19-13-8-9-15-17(12-13)21-16-7-3-2-6-14(16)18(15)20-10-4-1-5-11-22/h8-9,12,22H,1-7,10-11H2,(H,20,21).
What are the key properties of 5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol?
5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol has a molecular weight of 318.85 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol is sourced from PubChem (CID 67607785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).