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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Related Compounds

1-(8-chloroisoquinolin-5-yl)ethanamine
CID 82575686
(1S)-1-(4-chloro-3-pyridinyl)ethanamine
CID 96955517
5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide
CID 82574325
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
(1R)-1-(4-chloro-3-pyridinyl)ethanethiol
CID 163825883
(1S)-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171233500
(1S)-1-(3-ethynyl-4-pyridinyl)ethanamine
CID 74788000
1,4-di(propan-2-yl)-2,6-naphthyridine
CID 130377986
(1S)-1-[5-chloro-2-[(3-chloro-4-pyridinyl)methoxy]phenyl]ethanamine
CID 79014080
1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine
CID 82409851
(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol
CID 130738472

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).