1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one

C14H17NO2 — CID 166892629

IUPAC1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
SMILESCCNC(CC)C(=O)c1ccc2ccoc2c1
InChIInChI=1S/C14H17NO2/c1-3-12(15-4-2)14(16)11-6-5-10-7-8-17-13(10)9-11/h5-9,12,15H,3-4H2,1-2H3
InChIKeyQTOXDAXPSBICSE-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.00
Rot. Bonds5

About 1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one

1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one (PubChem CID 166892629) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
PubChem CID166892629
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
SMILESCCNC(CC)C(=O)c1ccc2ccoc2c1
InChIInChI=1S/C14H17NO2/c1-3-12(15-4-2)14(16)11-6-5-10-7-8-17-13(10)9-11/h5-9,12,15H,3-4H2,1-2H3
InChIKeyQTOXDAXPSBICSE-UHFFFAOYSA-N
XLogP3.00
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one
CID 166892538
3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol
CID 166892632
1-(1-benzofuran-6-yl)-3-chloro-2-(methylamino)propan-1-one
CID 166892590
2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine
CID 168925902
1-(1-benzofuran-6-yl)-2-(fluoromethylamino)-4-hydroxybutan-1-one
CID 168925906
2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149371
2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)butan-1-one;hydrochloride
CID 112500420
1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone
CID 168924259
1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride
CID 169436410
3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 168924123
1-(1-benzofuran-5-yl)-3-fluoro-2-(methylamino)propan-1-one
CID 169069289

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one?
The IUPAC name of 1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one (CID 166892629) is 1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one.
What is the SMILES notation for 1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one?
The canonical SMILES for 1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one is CCNC(CC)C(=O)c1ccc2ccoc2c1.
What is the InChIKey of 1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one?
The InChIKey is QTOXDAXPSBICSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-12(15-4-2)14(16)11-6-5-10-7-8-17-13(10)9-11/h5-9,12,15H,3-4H2,1-2H3.
What are the key properties of 1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one?
1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one has a molecular weight of 231.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one is sourced from PubChem (CID 166892629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).