2-(6,8-dichloroisoquinolin-1-yl)ethanamine

C11H10Cl2N2 — CID 82575496

IUPAC2-(6,8-dichloroisoquinolin-1-yl)ethanamine
SMILESNCCc1nccc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C11H10Cl2N2/c12-8-5-7-2-4-15-10(1-3-14)11(7)9(13)6-8/h2,4-6H,1,3,14H2
InChIKeyJJXCOBNDTDYKOO-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.04
Rot. Bonds2

About 2-(6,8-dichloroisoquinolin-1-yl)ethanamine

2-(6,8-dichloroisoquinolin-1-yl)ethanamine (PubChem CID 82575496) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-(6,8-dichloroisoquinolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dichloroisoquinolin-1-yl)ethanamine
PubChem CID82575496
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name2-(6,8-dichloroisoquinolin-1-yl)ethanamine
SMILESNCCc1nccc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C11H10Cl2N2/c12-8-5-7-2-4-15-10(1-3-14)11(7)9(13)6-8/h2,4-6H,1,3,14H2
InChIKeyJJXCOBNDTDYKOO-UHFFFAOYSA-N
XLogP3.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,6,8-trichloroisoquinoline
CID 80505111
6,8-dichloroisoquinoline-1-carboxamide
CID 82573949
4-(6-chloroisoquinolin-1-yl)butan-1-amine
CID 82577669
2-(6,8-dichloro-3-methylquinolin-2-yl)ethanamine
CID 82245360
2-(3-chloropyrazin-2-yl)ethanamine
CID 134588133
3-(8-methylisoquinolin-1-yl)propan-1-amine
CID 82576542
4,5,7-trichloroquinoline
CID 615835
2-(6,8-dichloro-2-methylquinolin-3-yl)ethanamine
CID 82245350
2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine
CID 134630613
[2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride
CID 167525982
4-isoquinolin-1-ylbutan-1-amine
CID 57124136
1-(2-aminoethyl)isoquinolin-5-ol
CID 84661446

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloroisoquinolin-1-yl)ethanamine?
The IUPAC name of 2-(6,8-dichloroisoquinolin-1-yl)ethanamine (CID 82575496) is 2-(6,8-dichloroisoquinolin-1-yl)ethanamine.
What is the SMILES notation for 2-(6,8-dichloroisoquinolin-1-yl)ethanamine?
The canonical SMILES for 2-(6,8-dichloroisoquinolin-1-yl)ethanamine is NCCc1nccc2cc(Cl)cc(Cl)c12.
What is the InChIKey of 2-(6,8-dichloroisoquinolin-1-yl)ethanamine?
The InChIKey is JJXCOBNDTDYKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c12-8-5-7-2-4-15-10(1-3-14)11(7)9(13)6-8/h2,4-6H,1,3,14H2.
What are the key properties of 2-(6,8-dichloroisoquinolin-1-yl)ethanamine?
2-(6,8-dichloroisoquinolin-1-yl)ethanamine has a molecular weight of 241.12 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloroisoquinolin-1-yl)ethanamine is sourced from PubChem (CID 82575496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).