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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Related Compounds

2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
CID 22004817
2-(2,3,4,5-Tetrahydro-1-benzofuran-2-yl)ethanamine
CID 57288704
3-(1,3-Dihydrocyclopenta[c]pyran-4-yl)propan-1-amine
CID 67558971
1,3,4,6-Tetrahydrocyclopenta[c]pyran-1-ylmethanamine
CID 89532757
2,3,4,5-Tetrahydro-1-benzofuran-3-amine
CID 129116475
2-(2,3,4,5-tetrahydro-1H-inden-5-yloxy)ethanamine
CID 141057839
2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine
CID 143195163
6-(Cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine
CID 145311471
2-Methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine
CID 146429901
(1S)-1-[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]ethanamine
CID 153680355
(7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine
CID 155402728
(6-methylidene-3,4-dihydro-1H-cyclopenta[c]pyran-1-yl)methanamine
CID 163415695

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).