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

C13H13ClN2 — CID 22493

IUPAC7-chloro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)
InChIKeyPUKKYURTEBJMKJ-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.35
Rot. Bonds

About 7-chloro-1,2,3,4-tetrahydroacridin-9-amine

7-chloro-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 22493) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 7-chloro-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name7-chloro-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID22493
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name7-chloro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)
InChIKeyPUKKYURTEBJMKJ-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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Related Compounds

Tacrine
CID 1935
Proflavine
CID 7099
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
9-Aminoacridine hydrochloride
CID 8643
2-Phenylquinoline
CID 71545
4-Amino-2-methylquinoline
CID 81116
3,6-Acridinediamine, hydrochloride (1:1)
CID 197873
1-Acridinamine
CID 11352
6-Chloroquinoline
CID 69163
1,2,3,4-Tetrahydro-9-acridinamine hydrochloride hydrate (1:?:?)
CID 6420002
9-Aminoacridine hydrochloride monohydrate
CID 2723598

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 7-chloro-1,2,3,4-tetrahydroacridin-9-amine (CID 22493) is 7-chloro-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 7-chloro-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 7-chloro-1,2,3,4-tetrahydroacridin-9-amine is Nc1c2c(nc3ccc(Cl)cc13)CCCC2.
What is the InChIKey of 7-chloro-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is PUKKYURTEBJMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16).
What are the key properties of 7-chloro-1,2,3,4-tetrahydroacridin-9-amine?
7-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 7-chloro-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 22493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).