1-(8-chloroisoquinolin-5-yl)ethanamine

C11H11ClN2 — CID 82575686

IUPAC1-(8-chloroisoquinolin-5-yl)ethanamine
SMILESCC(N)c1ccc(Cl)c2cnccc12
InChIInChI=1S/C11H11ClN2/c1-7(13)8-2-3-11(12)10-6-14-5-4-9(8)10/h2-7H,13H2,1H3
InChIKeyYLXULXPACIWMSM-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.91
Rot. Bonds1

About 1-(8-chloroisoquinolin-5-yl)ethanamine

1-(8-chloroisoquinolin-5-yl)ethanamine (PubChem CID 82575686) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 1-(8-chloroisoquinolin-5-yl)ethanamine.

Molecular Properties

Compound Name1-(8-chloroisoquinolin-5-yl)ethanamine
PubChem CID82575686
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name1-(8-chloroisoquinolin-5-yl)ethanamine
SMILESCC(N)c1ccc(Cl)c2cnccc12
InChIInChI=1S/C11H11ClN2/c1-7(13)8-2-3-11(12)10-6-14-5-4-9(8)10/h2-7H,13H2,1H3
InChIKeyYLXULXPACIWMSM-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloroisoquinolin-5-yl)ethanamine?
The IUPAC name of 1-(8-chloroisoquinolin-5-yl)ethanamine (CID 82575686) is 1-(8-chloroisoquinolin-5-yl)ethanamine.
What is the SMILES notation for 1-(8-chloroisoquinolin-5-yl)ethanamine?
The canonical SMILES for 1-(8-chloroisoquinolin-5-yl)ethanamine is CC(N)c1ccc(Cl)c2cnccc12.
What is the InChIKey of 1-(8-chloroisoquinolin-5-yl)ethanamine?
The InChIKey is YLXULXPACIWMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-7(13)8-2-3-11(12)10-6-14-5-4-9(8)10/h2-7H,13H2,1H3.
What are the key properties of 1-(8-chloroisoquinolin-5-yl)ethanamine?
1-(8-chloroisoquinolin-5-yl)ethanamine has a molecular weight of 206.68 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroisoquinolin-5-yl)ethanamine is sourced from PubChem (CID 82575686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).