1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone

C15H19NO3 — CID 142327542

IUPAC1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone
SMILESCCNC[C@H](C)Oc1ccc2oc(C(C)=O)cc2c1
InChIInChI=1S/C15H19NO3/c1-4-16-9-10(2)18-13-5-6-14-12(7-13)8-15(19-14)11(3)17/h5-8,10,16H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyFLAHRGKQAIXUJR-JTQLQIEISA-N
MW261.32 g/mol
LogP3.01
Rot. Bonds6

About 1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone

1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone (PubChem CID 142327542) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone
PubChem CID142327542
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone
SMILESCCNC[C@H](C)Oc1ccc2oc(C(C)=O)cc2c1
InChIInChI=1S/C15H19NO3/c1-4-16-9-10(2)18-13-5-6-14-12(7-13)8-15(19-14)11(3)17/h5-8,10,16H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyFLAHRGKQAIXUJR-JTQLQIEISA-N
XLogP3.01
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-[[2-(2-methylpropanoyl)-1-benzofuran-5-yl]oxy]propyl]methanesulfinothioamide
CID 146520382
1-(5-propyl-1-benzofuran-2-yl)ethanone
CID 65428226
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(6-ethoxy-1-benzofuran-2-yl)ethanone
CID 146562669
2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one
CID 126654823
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
5-butoxy-1-benzofuran-2-carboxylic acid
CID 67998736
5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid
CID 169229514
2-methyl-1-[5-[3-(sulfanylamino)propoxy]-1-benzofuran-2-yl]propan-1-one
CID 167256709
1-(1-benzofuran-2-yl)ethanone
CID 15435

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone?
The IUPAC name of 1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone (CID 142327542) is 1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone is CCNC[C@H](C)Oc1ccc2oc(C(C)=O)cc2c1.
What is the InChIKey of 1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone?
The InChIKey is FLAHRGKQAIXUJR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-16-9-10(2)18-13-5-6-14-12(7-13)8-15(19-14)11(3)17/h5-8,10,16H,4,9H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone?
1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone has a molecular weight of 261.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2S)-1-(ethylamino)propan-2-yl]oxy-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 142327542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).