1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride

C13H18ClNO2 — CID 54595179

IUPAC1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride
SMILESCOc1cc(C)cc2c(C)c(C(C)N)oc12.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-7-5-10-8(2)12(9(3)14)16-13(10)11(6-7)15-4;/h5-6,9H,14H2,1-4H3;1H
InChIKeyPKXWJRTWXAGSSV-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.50
Rot. Bonds2

About 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride

1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride (PubChem CID 54595179) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride
PubChem CID54595179
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride
SMILESCOc1cc(C)cc2c(C)c(C(C)N)oc12.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-7-5-10-8(2)12(9(3)14)16-13(10)11(6-7)15-4;/h5-6,9H,14H2,1-4H3;1H
InChIKeyPKXWJRTWXAGSSV-UHFFFAOYSA-N
XLogP3.50
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride (CID 54595179) is 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride is COc1cc(C)cc2c(C)c(C(C)N)oc12.Cl.
What is the InChIKey of 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride?
The InChIKey is PKXWJRTWXAGSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-7-5-10-8(2)12(9(3)14)16-13(10)11(6-7)15-4;/h5-6,9H,14H2,1-4H3;1H.
What are the key properties of 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride?
1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 54595179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).