9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride

C13H17ClN2O2 — CID 172855502

IUPAC9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride
SMILESCl.Nc1c2c(nc3cccc(O)c13)CCCC2.O
InChIInChI=1S/C13H14N2O.ClH.H2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13;;/h3,6-7,16H,1-2,4-5H2,(H2,14,15);1H;1H2
InChIKeyYQLSOPNIPZYLMB-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.00
Rot. Bonds

About 9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride

9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride (PubChem CID 172855502) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride.

Molecular Properties

Compound Name9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride
PubChem CID172855502
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride
SMILESCl.Nc1c2c(nc3cccc(O)c13)CCCC2.O
InChIInChI=1S/C13H14N2O.ClH.H2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13;;/h3,6-7,16H,1-2,4-5H2,(H2,14,15);1H;1H2
InChIKeyYQLSOPNIPZYLMB-UHFFFAOYSA-N
XLogP2.00
TPSA90.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 164613000
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
7,8-difluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 54485641
2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;2-hydroxybenzoic acid
CID 6611504
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
CID 159322065
7-bromo-6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 107578671
6-methyl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
CID 164616381
5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 611416
5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 62203099
1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
CID 29279345

Frequently Asked Questions

What is the IUPAC name of 9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride?
The IUPAC name of 9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride (CID 172855502) is 9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride.
What is the SMILES notation for 9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride?
The canonical SMILES for 9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride is Cl.Nc1c2c(nc3cccc(O)c13)CCCC2.O.
What is the InChIKey of 9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride?
The InChIKey is YQLSOPNIPZYLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.ClH.H2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13;;/h3,6-7,16H,1-2,4-5H2,(H2,14,15);1H;1H2.
What are the key properties of 9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride?
9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride has a molecular weight of 268.74 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5,6,7,8-tetrahydroacridin-1-ol;hydrate;hydrochloride is sourced from PubChem (CID 172855502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).