2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine

C12H17NO — CID 21460973

IUPAC2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
SMILESCCc1ccc2c(c1)C(CCN)CO2
InChIInChI=1S/C12H17NO/c1-2-9-3-4-12-11(7-9)10(5-6-13)8-14-12/h3-4,7,10H,2,5-6,8,13H2,1H3
InChIKeyWXNJBUZGZZOMCY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.07
Rot. Bonds3

About 2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine

2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine (PubChem CID 21460973) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
PubChem CID21460973
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
SMILESCCc1ccc2c(c1)C(CCN)CO2
InChIInChI=1S/C12H17NO/c1-2-9-3-4-12-11(7-9)10(5-6-13)8-14-12/h3-4,7,10H,2,5-6,8,13H2,1H3
InChIKeyWXNJBUZGZZOMCY-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine (CID 21460973) is 2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine is CCc1ccc2c(c1)C(CCN)CO2.
What is the InChIKey of 2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
The InChIKey is WXNJBUZGZZOMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-9-3-4-12-11(7-9)10(5-6-13)8-14-12/h3-4,7,10H,2,5-6,8,13H2,1H3.
What are the key properties of 2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine?
2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 21460973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).