2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one

C12H17NO2 — CID 141149371

IUPAC2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one
SMILESCCNC(CC)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-3-11(13-4-2)12(15)9-5-7-10(14)8-6-9/h5-8,11,13-14H,3-4H2,1-2H3
InChIKeyAVBGMZNNIHGENZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.96
Rot. Bonds5

About 2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one

2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one (PubChem CID 141149371) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one
PubChem CID141149371
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one
SMILESCCNC(CC)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-3-11(13-4-2)12(15)9-5-7-10(14)8-6-9/h5-8,11,13-14H,3-4H2,1-2H3
InChIKeyAVBGMZNNIHGENZ-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934
1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride
CID 169436410
2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride
CID 86601556
1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
CID 166892629
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
4-(4-butan-2-ylphenyl)-3-(ethylamino)-4-oxobutanoic acid
CID 82322816
2-(ethylamino)-1-(4-methylphenyl)hexan-1-one
CID 165361446
3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid
CID 82348090
1-(4-hydroxyphenyl)-4-methylhexane-1,3-dione
CID 66764212
1-(3,4-dihydroxyphenyl)-2-(propylamino)butan-1-one
CID 3027855
[(2S)-3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamic acid
CID 67569919
5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid
CID 82349311

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one?
The IUPAC name of 2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one (CID 141149371) is 2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one?
The canonical SMILES for 2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one is CCNC(CC)C(=O)c1ccc(O)cc1.
What is the InChIKey of 2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one?
The InChIKey is AVBGMZNNIHGENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-11(13-4-2)12(15)9-5-7-10(14)8-6-9/h5-8,11,13-14H,3-4H2,1-2H3.
What are the key properties of 2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one?
2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 141149371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).