2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride

C11H14ClNO2 — CID 135381759

IUPAC2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride
SMILESCOc1cc2occc2cc1CCN.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-13-10-7-11-9(3-5-14-11)6-8(10)2-4-12;/h3,5-7H,2,4,12H2,1H3;1H
InChIKeyMKOXEJQEYJZJTB-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.36
Rot. Bonds3

About 2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride

2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride (PubChem CID 135381759) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride
PubChem CID135381759
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride
SMILESCOc1cc2occc2cc1CCN.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-13-10-7-11-9(3-5-14-11)6-8(10)2-4-12;/h3,5-7H,2,4,12H2,1H3;1H
InChIKeyMKOXEJQEYJZJTB-UHFFFAOYSA-N
XLogP2.36
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride (CID 135381759) is 2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride is COc1cc2occc2cc1CCN.Cl.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride?
The InChIKey is MKOXEJQEYJZJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-13-10-7-11-9(3-5-14-11)6-8(10)2-4-12;/h3,5-7H,2,4,12H2,1H3;1H.
What are the key properties of 2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride?
2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 135381759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).