2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine

C10H9Cl2NO — CID 81047859

IUPAC2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine
SMILESNCCc1coc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C10H9Cl2NO/c11-7-1-2-8(12)10-9(7)6(3-4-13)5-14-10/h1-2,5H,3-4,13H2
InChIKeyCBBHYCOYFLXGRI-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.24
Rot. Bonds2

About 2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine

2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine (PubChem CID 81047859) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine
PubChem CID81047859
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine
SMILESNCCc1coc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C10H9Cl2NO/c11-7-1-2-8(12)10-9(7)6(3-4-13)5-14-10/h1-2,5H,3-4,13H2
InChIKeyCBBHYCOYFLXGRI-UHFFFAOYSA-N
XLogP3.24
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine (CID 81047859) is 2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine is NCCc1coc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine?
The InChIKey is CBBHYCOYFLXGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-7-1-2-8(12)10-9(7)6(3-4-13)5-14-10/h1-2,5H,3-4,13H2.
What are the key properties of 2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine?
2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine has a molecular weight of 230.09 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 81047859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).