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

C14H15ClN2 — CID 62202376

IUPAC7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCNc1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C14H15ClN2/c1-16-14-10-4-2-3-5-12(10)17-13-7-6-9(15)8-11(13)14/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyCHAAYPHSNGBWAK-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.81
Rot. Bonds1

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

7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 62202376) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID62202376
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCNc1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C14H15ClN2/c1-16-14-10-4-2-3-5-12(10)17-13-7-6-9(15)8-11(13)14/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyCHAAYPHSNGBWAK-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine (CID 62202376) is 7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine is CNc1c2c(nc3ccc(Cl)cc13)CCCC2.
What is the InChIKey of 7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is CHAAYPHSNGBWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-16-14-10-4-2-3-5-12(10)17-13-7-6-9(15)8-11(13)14/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine?
7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 246.74 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 62202376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).