8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol

C21H29ClN2O — CID 122194891

IUPAC8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol
SMILESOCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C21H29ClN2O/c22-16-11-12-18-20(15-16)24-19-10-6-5-9-17(19)21(18)23-13-7-3-1-2-4-8-14-25/h11-12,15,25H,1-10,13-14H2,(H,23,24)
InChIKeyNSZBCRMNDPJYII-UHFFFAOYSA-N
MW360.93 g/mol
LogP5.51
Rot. Bonds9

About 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol

8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol (PubChem CID 122194891) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol.

Molecular Properties

Compound Name8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol
PubChem CID122194891
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC Name8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol
SMILESOCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C21H29ClN2O/c22-16-11-12-18-20(15-16)24-19-10-6-5-9-17(19)21(18)23-13-7-3-1-2-4-8-14-25/h11-12,15,25H,1-10,13-14H2,(H,23,24)
InChIKeyNSZBCRMNDPJYII-UHFFFAOYSA-N
XLogP5.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.93
LogP ≤ 55.51
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 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol?
The IUPAC name of 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol (CID 122194891) is 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol.
What is the SMILES notation for 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol?
The canonical SMILES for 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol is OCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol?
The InChIKey is NSZBCRMNDPJYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O/c22-16-11-12-18-20(15-16)24-19-10-6-5-9-17(19)21(18)23-13-7-3-1-2-4-8-14-25/h11-12,15,25H,1-10,13-14H2,(H,23,24).
What are the key properties of 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol?
8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol has a molecular weight of 360.93 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octan-1-ol is sourced from PubChem (CID 122194891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).