1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one

C14H15NO2 — CID 122234636

IUPAC1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(NCc2ccco2)c1
InChIInChI=1S/C14H15NO2/c1-2-14(16)11-5-3-6-12(9-11)15-10-13-7-4-8-17-13/h3-9,15H,2,10H2,1H3
InChIKeyYTRQIXVYSLIHHT-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.48
Rot. Bonds5

About 1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one

1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one (PubChem CID 122234636) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one
PubChem CID122234636
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(NCc2ccco2)c1
InChIInChI=1S/C14H15NO2/c1-2-14(16)11-5-3-6-12(9-11)15-10-13-7-4-8-17-13/h3-9,15H,2,10H2,1H3
InChIKeyYTRQIXVYSLIHHT-UHFFFAOYSA-N
XLogP3.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230
3-[[2-(diethylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834716
3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline
CID 115744245
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 18096587
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834747
N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834584
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one?
The IUPAC name of 1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one (CID 122234636) is 1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one is CCC(=O)c1cccc(NCc2ccco2)c1.
What is the InChIKey of 1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one?
The InChIKey is YTRQIXVYSLIHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-14(16)11-5-3-6-12(9-11)15-10-13-7-4-8-17-13/h3-9,15H,2,10H2,1H3.
What are the key properties of 1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one?
1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one has a molecular weight of 229.28 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one is sourced from PubChem (CID 122234636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).