3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one

C13H19NO3 — CID 121004187

IUPAC3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one
SMILESCCN(CC)CCC(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H19NO3/c1-3-14(4-2)8-7-12(16)11-6-5-10(15)9-13(11)17/h5-6,9,15,17H,3-4,7-8H2,1-2H3
InChIKeyCIZVEGADBXIBQQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.01
Rot. Bonds6

About 3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one

3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one (PubChem CID 121004187) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one
PubChem CID121004187
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one
SMILESCCN(CC)CCC(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H19NO3/c1-3-14(4-2)8-7-12(16)11-6-5-10(15)9-13(11)17/h5-6,9,15,17H,3-4,7-8H2,1-2H3
InChIKeyCIZVEGADBXIBQQ-UHFFFAOYSA-N
XLogP2.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
CID 130033868
[(2R)-4-(diethylamino)butan-2-yl] 2,4-dihydroxybenzoate
CID 2055324
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
CID 107399788
2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
CID 43219653
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-one
CID 79021474
1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429345
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368
3-[(2,4-dihydroxybenzoyl)-methylamino]propanoic acid
CID 60989735
1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850569
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one (CID 121004187) is 3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one is CCN(CC)CCC(=O)c1ccc(O)cc1O.
What is the InChIKey of 3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one?
The InChIKey is CIZVEGADBXIBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-14(4-2)8-7-12(16)11-6-5-10(15)9-13(11)17/h5-6,9,15,17H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one?
3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one has a molecular weight of 237.30 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one is sourced from PubChem (CID 121004187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).