2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine

C13H17NO3 — CID 10609802

IUPAC2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine
SMILESCOc1c2c(c(CCN)c3c1OCC3)CCO2
InChIInChI=1S/C13H17NO3/c1-15-13-11-9(3-6-16-11)8(2-5-14)10-4-7-17-12(10)13/h2-7,14H2,1H3
InChIKeyNZPLNCQAEYLYII-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.07
Rot. Bonds3

About 2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine

2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine (PubChem CID 10609802) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine.

Molecular Properties

Compound Name2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine
PubChem CID10609802
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine
SMILESCOc1c2c(c(CCN)c3c1OCC3)CCO2
InChIInChI=1S/C13H17NO3/c1-15-13-11-9(3-6-16-11)8(2-5-14)10-4-7-17-12(10)13/h2-7,14H2,1H3
InChIKeyNZPLNCQAEYLYII-UHFFFAOYSA-N
XLogP1.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine?
The IUPAC name of 2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine (CID 10609802) is 2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine.
What is the SMILES notation for 2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine?
The canonical SMILES for 2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine is COc1c2c(c(CCN)c3c1OCC3)CCO2.
What is the InChIKey of 2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine?
The InChIKey is NZPLNCQAEYLYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-15-13-11-9(3-6-16-11)8(2-5-14)10-4-7-17-12(10)13/h2-7,14H2,1H3.
What are the key properties of 2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine?
2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine has a molecular weight of 235.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-4-yl)ethanamine is sourced from PubChem (CID 10609802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).