1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride

C10H11Cl2NO — CID 54594449

IUPAC1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1cc2cc(Cl)ccc2o1.Cl
InChIInChI=1S/C10H10ClNO.ClH/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10;/h2-6H,12H2,1H3;1H
InChIKeyPKRTXJKJSHBKKJ-UHFFFAOYSA-N
MW232.11 g/mol
LogP3.53
Rot. Bonds1

About 1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride

1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride (PubChem CID 54594449) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride
PubChem CID54594449
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1cc2cc(Cl)ccc2o1.Cl
InChIInChI=1S/C10H10ClNO.ClH/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10;/h2-6H,12H2,1H3;1H
InChIKeyPKRTXJKJSHBKKJ-UHFFFAOYSA-N
XLogP3.53
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride (CID 54594449) is 1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride is CC(N)c1cc2cc(Cl)ccc2o1.Cl.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride?
The InChIKey is PKRTXJKJSHBKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO.ClH/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10;/h2-6H,12H2,1H3;1H.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride?
1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride has a molecular weight of 232.11 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 54594449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).