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

C13H16ClNO — CID 22004817

IUPAC2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
SMILESCl.NCCC1=CCC2=C1C1=CCOC1C=C2
InChIInChI=1S/C13H15NO.ClH/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;1H
InChIKeyYRBXULOFFIDSBQ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.28
Rot. Bonds2

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

2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride (PubChem CID 22004817) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
PubChem CID22004817
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
SMILESCl.NCCC1=CCC2=C1C1=CCOC1C=C2
InChIInChI=1S/C13H15NO.ClH/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;1H
InChIKeyYRBXULOFFIDSBQ-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.28
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;hydrochloride?
The IUPAC name of 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride (CID 22004817) is 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride is Cl.NCCC1=CCC2=C1C1=CCOC1C=C2.
What is the InChIKey of 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride?
The InChIKey is YRBXULOFFIDSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.ClH/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;1H.
What are the key properties of 2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride?
2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.28, 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;hydrochloride is sourced from PubChem (CID 22004817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).