8-chloro-1,2,3,4-tetrahydroacridin-9-amine

C13H13ClN2 — CID 19770285

IUPAC8-chloro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3cccc(Cl)c13)CCCC2
InChIInChI=1S/C13H13ClN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)
InChIKeyKVGMGGLTJLJDFE-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.35
Rot. Bonds

About 8-chloro-1,2,3,4-tetrahydroacridin-9-amine

8-chloro-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 19770285) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 8-chloro-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name8-chloro-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID19770285
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name8-chloro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3cccc(Cl)c13)CCCC2
InChIInChI=1S/C13H13ClN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)
InChIKeyKVGMGGLTJLJDFE-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 8-chloro-1,2,3,4-tetrahydroacridin-9-amine (CID 19770285) is 8-chloro-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 8-chloro-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 8-chloro-1,2,3,4-tetrahydroacridin-9-amine is Nc1c2c(nc3cccc(Cl)c13)CCCC2.
What is the InChIKey of 8-chloro-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is KVGMGGLTJLJDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16).
What are the key properties of 8-chloro-1,2,3,4-tetrahydroacridin-9-amine?
8-chloro-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 232.71 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 19770285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).