2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine

C13H15NO — CID 22004818

IUPAC2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
SMILESNCCC1=CCC2=C1C1=CCOC1C=C2
InChIInChI=1S/C13H15NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h2-4,6,12H,1,5,7-8,14H2
InChIKeyQRVHGJMCUCVSED-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.86
Rot. Bonds2

About 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine

2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine (PubChem CID 22004818) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine.

Molecular Properties

Compound Name2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
PubChem CID22004818
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
SMILESNCCC1=CCC2=C1C1=CCOC1C=C2
InChIInChI=1S/C13H15NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h2-4,6,12H,1,5,7-8,14H2
InChIKeyQRVHGJMCUCVSED-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
The IUPAC name of 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine (CID 22004818) is 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine.
What is the SMILES notation for 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
The canonical SMILES for 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine is NCCC1=CCC2=C1C1=CCOC1C=C2.
What is the InChIKey of 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
The InChIKey is QRVHGJMCUCVSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h2-4,6,12H,1,5,7-8,14H2.
What are the key properties of 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine has a molecular weight of 201.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine is sourced from PubChem (CID 22004818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).