1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone

C12H17NO2 — CID 82101293

IUPAC1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone
SMILESCCc1ccc(C(=O)CNCCO)cc1
InChIInChI=1S/C12H17NO2/c1-2-10-3-5-11(6-4-10)12(15)9-13-7-8-14/h3-6,13-14H,2,7-9H2,1H3
InChIKeyHCRJYVDYMXHRRU-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.01
Rot. Bonds6

About 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone

1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone (PubChem CID 82101293) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone
PubChem CID82101293
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone
SMILESCCc1ccc(C(=O)CNCCO)cc1
InChIInChI=1S/C12H17NO2/c1-2-10-3-5-11(6-4-10)12(15)9-13-7-8-14/h3-6,13-14H,2,7-9H2,1H3
InChIKeyHCRJYVDYMXHRRU-UHFFFAOYSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(4-ethylphenyl)-2-oxoethyl]amino]ethyl]acetamide
CID 82104476
3-(ethylamino)-1-(4-ethylphenyl)propan-1-one
CID 94255299
2-[2-(4-ethylphenyl)ethylamino]ethanol
CID 94679941
2-(2-hydroxyethylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101380
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
CID 82101433
1-(4-bromophenyl)-2-(4-ethylanilino)ethanone
CID 110823643
1-(4-ethylphenyl)hexane-1,3-dione
CID 61393286
1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
CID 82101223
1-(4-ethylphenyl)-3-methylidenepentan-1-one
CID 66044562
2-(cyclooctylamino)-1-(4-ethylphenyl)ethanone
CID 82101307
1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone
CID 60649844

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone (CID 82101293) is 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone is CCc1ccc(C(=O)CNCCO)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone?
The InChIKey is HCRJYVDYMXHRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-10-3-5-11(6-4-10)12(15)9-13-7-8-14/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone?
1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone has a molecular weight of 207.27 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone is sourced from PubChem (CID 82101293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).