2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine

C13H17NO2 — CID 115010665

IUPAC2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine
SMILESCc1c2c(c(CCN)c3c1OCC3)OCC2
InChIInChI=1S/C13H17NO2/c1-8-9-3-6-16-13(9)10(2-5-14)11-4-7-15-12(8)11/h2-7,14H2,1H3
InChIKeyJQNMKHHJXLRJQV-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.37
Rot. Bonds2

About 2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine

2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine (PubChem CID 115010665) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine.

Molecular Properties

Compound Name2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine
PubChem CID115010665
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine
SMILESCc1c2c(c(CCN)c3c1OCC3)OCC2
InChIInChI=1S/C13H17NO2/c1-8-9-3-6-16-13(9)10(2-5-14)11-4-7-15-12(8)11/h2-7,14H2,1H3
InChIKeyJQNMKHHJXLRJQV-UHFFFAOYSA-N
XLogP1.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine?
The IUPAC name of 2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine (CID 115010665) is 2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine.
What is the SMILES notation for 2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine?
The canonical SMILES for 2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine is Cc1c2c(c(CCN)c3c1OCC3)OCC2.
What is the InChIKey of 2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine?
The InChIKey is JQNMKHHJXLRJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-9-3-6-16-13(9)10(2-5-14)11-4-7-15-12(8)11/h2-7,14H2,1H3.
What are the key properties of 2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine?
2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine has a molecular weight of 219.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine is sourced from PubChem (CID 115010665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).