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

C19H25ClN2O — CID 71661698

IUPAC6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol
SMILESOCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C19H25ClN2O/c20-14-9-10-16-18(13-14)22-17-8-4-3-7-15(17)19(16)21-11-5-1-2-6-12-23/h9-10,13,23H,1-8,11-12H2,(H,21,22)
InChIKeyPHSVLIJGJJYPSH-UHFFFAOYSA-N
MW332.88 g/mol
LogP4.73
Rot. Bonds7

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

6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol (PubChem CID 71661698) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol
PubChem CID71661698
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol
SMILESOCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C19H25ClN2O/c20-14-9-10-16-18(13-14)22-17-8-4-3-7-15(17)19(16)21-11-5-1-2-6-12-23/h9-10,13,23H,1-8,11-12H2,(H,21,22)
InChIKeyPHSVLIJGJJYPSH-UHFFFAOYSA-N
XLogP4.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.73
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 6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol (CID 71661698) is 6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol is OCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of 6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol?
The InChIKey is PHSVLIJGJJYPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c20-14-9-10-16-18(13-14)22-17-8-4-3-7-15(17)19(16)21-11-5-1-2-6-12-23/h9-10,13,23H,1-8,11-12H2,(H,21,22).
What are the key properties of 6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol?
6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol has a molecular weight of 332.88 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol is sourced from PubChem (CID 71661698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).