1-(5,6-dichloroisoquinolin-8-yl)ethanamine

C11H10Cl2N2 — CID 82575672

IUPAC1-(5,6-dichloroisoquinolin-8-yl)ethanamine
SMILESCC(N)c1cc(Cl)c(Cl)c2ccncc12
InChIInChI=1S/C11H10Cl2N2/c1-6(14)8-4-10(12)11(13)7-2-3-15-5-9(7)8/h2-6H,14H2,1H3
InChIKeyREHZHGGBHXTHAI-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.56
Rot. Bonds1

About 1-(5,6-dichloroisoquinolin-8-yl)ethanamine

1-(5,6-dichloroisoquinolin-8-yl)ethanamine (PubChem CID 82575672) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 1-(5,6-dichloroisoquinolin-8-yl)ethanamine.

Molecular Properties

Compound Name1-(5,6-dichloroisoquinolin-8-yl)ethanamine
PubChem CID82575672
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name1-(5,6-dichloroisoquinolin-8-yl)ethanamine
SMILESCC(N)c1cc(Cl)c(Cl)c2ccncc12
InChIInChI=1S/C11H10Cl2N2/c1-6(14)8-4-10(12)11(13)7-2-3-15-5-9(7)8/h2-6H,14H2,1H3
InChIKeyREHZHGGBHXTHAI-UHFFFAOYSA-N
XLogP3.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dichloroisoquinolin-8-yl)ethanamine?
The IUPAC name of 1-(5,6-dichloroisoquinolin-8-yl)ethanamine (CID 82575672) is 1-(5,6-dichloroisoquinolin-8-yl)ethanamine.
What is the SMILES notation for 1-(5,6-dichloroisoquinolin-8-yl)ethanamine?
The canonical SMILES for 1-(5,6-dichloroisoquinolin-8-yl)ethanamine is CC(N)c1cc(Cl)c(Cl)c2ccncc12.
What is the InChIKey of 1-(5,6-dichloroisoquinolin-8-yl)ethanamine?
The InChIKey is REHZHGGBHXTHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c1-6(14)8-4-10(12)11(13)7-2-3-15-5-9(7)8/h2-6H,14H2,1H3.
What are the key properties of 1-(5,6-dichloroisoquinolin-8-yl)ethanamine?
1-(5,6-dichloroisoquinolin-8-yl)ethanamine has a molecular weight of 241.12 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dichloroisoquinolin-8-yl)ethanamine is sourced from PubChem (CID 82575672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).