2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine

C14H19NO2S — CID 169028915

IUPAC2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine
SMILESCCCSc1cc(OC)c(CCN)c2ccoc12
InChIInChI=1S/C14H19NO2S/c1-3-8-18-13-9-12(16-2)10(4-6-15)11-5-7-17-14(11)13/h5,7,9H,3-4,6,8,15H2,1-2H3
InChIKeyOPHAELGQXBVLIX-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.44
Rot. Bonds6

About 2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine

2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine (PubChem CID 169028915) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine
PubChem CID169028915
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine
SMILESCCCSc1cc(OC)c(CCN)c2ccoc12
InChIInChI=1S/C14H19NO2S/c1-3-8-18-13-9-12(16-2)10(4-6-15)11-5-7-17-14(11)13/h5,7,9H,3-4,6,8,15H2,1-2H3
InChIKeyOPHAELGQXBVLIX-UHFFFAOYSA-N
XLogP3.44
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine?
The IUPAC name of 2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine (CID 169028915) is 2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine?
The canonical SMILES for 2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine is CCCSc1cc(OC)c(CCN)c2ccoc12.
What is the InChIKey of 2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine?
The InChIKey is OPHAELGQXBVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-8-18-13-9-12(16-2)10(4-6-15)11-5-7-17-14(11)13/h5,7,9H,3-4,6,8,15H2,1-2H3.
What are the key properties of 2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine?
2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine has a molecular weight of 265.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-7-propylsulfanyl-1-benzofuran-4-yl)ethanamine is sourced from PubChem (CID 169028915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).