1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone

C13H19NO2 — CID 60649844

IUPAC1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)CCO)cc1
InChIInChI=1S/C13H19NO2/c1-3-11-4-6-12(7-5-11)13(16)10-14(2)8-9-15/h4-7,15H,3,8-10H2,1-2H3
InChIKeyWSOJATRSZZYSNY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.36
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone

1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone (PubChem CID 60649844) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone
PubChem CID60649844
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)CCO)cc1
InChIInChI=1S/C13H19NO2/c1-3-11-4-6-12(7-5-11)13(16)10-14(2)8-9-15/h4-7,15H,3,8-10H2,1-2H3
InChIKeyWSOJATRSZZYSNY-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63699353
1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008573
1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795614
2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910
2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone
CID 112661909
1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201029
2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
CID 43795468
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
3-(dimethylamino)-1-(4-ethylphenyl)prop-2-yn-1-one
CID 116825429
2-[butyl-[2-(4-ethylphenyl)-2-oxoethyl]amino]acetamide
CID 62052887
1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone
CID 82101293
3-[methyl-[2-(4-methylphenyl)-2-oxoethyl]amino]propanoic acid
CID 82136245

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone (CID 60649844) is 1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone is CCc1ccc(C(=O)CN(C)CCO)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
The InChIKey is WSOJATRSZZYSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-11-4-6-12(7-5-11)13(16)10-14(2)8-9-15/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone has a molecular weight of 221.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone is sourced from PubChem (CID 60649844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).