8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine

C15H16BrClN2 — CID 63484393

IUPAC8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCNc1c2c(nc3c(Cl)ccc(Br)c13)CCCC2
InChIInChI=1S/C15H16BrClN2/c1-2-18-14-9-5-3-4-6-12(9)19-15-11(17)8-7-10(16)13(14)15/h7-8H,2-6H2,1H3,(H,18,19)
InChIKeyGPZVHCBUAUDVIB-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.96
Rot. Bonds2

About 8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine

8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 63484393) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID63484393
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCNc1c2c(nc3c(Cl)ccc(Br)c13)CCCC2
InChIInChI=1S/C15H16BrClN2/c1-2-18-14-9-5-3-4-6-12(9)19-15-11(17)8-7-10(16)13(14)15/h7-8H,2-6H2,1H3,(H,18,19)
InChIKeyGPZVHCBUAUDVIB-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine (CID 63484393) is 8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine is CCNc1c2c(nc3c(Cl)ccc(Br)c13)CCCC2.
What is the InChIKey of 8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is GPZVHCBUAUDVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-2-18-14-9-5-3-4-6-12(9)19-15-11(17)8-7-10(16)13(14)15/h7-8H,2-6H2,1H3,(H,18,19).
What are the key properties of 8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine?
8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 339.66 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 63484393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).