1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone

C12H15NO2 — CID 114747824

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1cccc2c1OCC2
InChIInChI=1S/C12H15NO2/c1-2-13-8-11(14)10-5-3-4-9-6-7-15-12(9)10/h3-5,13H,2,6-8H2,1H3
InChIKeyYPOPYRDXUJWVIL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.41
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone (PubChem CID 114747824) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
PubChem CID114747824
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1cccc2c1OCC2
InChIInChI=1S/C12H15NO2/c1-2-13-8-11(14)10-5-3-4-9-6-7-15-12(9)10/h3-5,13H,2,6-8H2,1H3
InChIKeyYPOPYRDXUJWVIL-UHFFFAOYSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 114747839
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone
CID 114747975
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one
CID 105135051
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747793
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
CID 115814227
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114748033

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone (CID 114747824) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone is CCNCC(=O)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone?
The InChIKey is YPOPYRDXUJWVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-13-8-11(14)10-5-3-4-9-6-7-15-12(9)10/h3-5,13H,2,6-8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone has a molecular weight of 205.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone is sourced from PubChem (CID 114747824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).