2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine

C13H13NO — CID 175767494

IUPAC2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
SMILESNCCC1=c2c(ccc3c2=CCO3)C=C1
InChIInChI=1S/C13H13NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h1-4,6H,5,7-8,14H2
InChIKeySMYUUWZQFJAXCF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.39
Rot. Bonds2

About 2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine

2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine (PubChem CID 175767494) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine.

Molecular Properties

Compound Name2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
PubChem CID175767494
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
SMILESNCCC1=c2c(ccc3c2=CCO3)C=C1
InChIInChI=1S/C13H13NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h1-4,6H,5,7-8,14H2
InChIKeySMYUUWZQFJAXCF-UHFFFAOYSA-N
XLogP0.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
The IUPAC name of 2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine (CID 175767494) is 2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine.
What is the SMILES notation for 2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
The canonical SMILES for 2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine is NCCC1=c2c(ccc3c2=CCO3)C=C1.
What is the InChIKey of 2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
The InChIKey is SMYUUWZQFJAXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h1-4,6H,5,7-8,14H2.
What are the key properties of 2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine?
2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine has a molecular weight of 199.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine is sourced from PubChem (CID 175767494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).