1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride

C12H16ClNO2 — CID 46741356

IUPAC1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride
SMILESCOc1ccc2oc(C)c(C(C)N)c2c1.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-7(13)12-8(2)15-11-5-4-9(14-3)6-10(11)12;/h4-7H,13H2,1-3H3;1H
InChIKeyDZOINRJHFNMZKT-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.19
Rot. Bonds2

About 1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride

1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride (PubChem CID 46741356) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride
PubChem CID46741356
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride
SMILESCOc1ccc2oc(C)c(C(C)N)c2c1.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-7(13)12-8(2)15-11-5-4-9(14-3)6-10(11)12;/h4-7H,13H2,1-3H3;1H
InChIKeyDZOINRJHFNMZKT-UHFFFAOYSA-N
XLogP3.19
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride (CID 46741356) is 1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride is COc1ccc2oc(C)c(C(C)N)c2c1.Cl.
What is the InChIKey of 1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride?
The InChIKey is DZOINRJHFNMZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-7(13)12-8(2)15-11-5-4-9(14-3)6-10(11)12;/h4-7H,13H2,1-3H3;1H.
What are the key properties of 1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride?
1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 46741356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).