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

C10H13NO — CID 19427259

IUPAC2-amino-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN)cc1
InChIInChI=1S/C10H13NO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6H,2,7,11H2,1H3
InChIKeyJTKYCUVENBFCFP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.39
Rot. Bonds3

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

2-amino-1-(4-ethylphenyl)ethanone (PubChem CID 19427259) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-amino-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-ethylphenyl)ethanone
PubChem CID19427259
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-amino-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN)cc1
InChIInChI=1S/C10H13NO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6H,2,7,11H2,1H3
InChIKeyJTKYCUVENBFCFP-UHFFFAOYSA-N
XLogP1.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-aminoacetyl)phenyl]methyl-trimethylazanium bromide
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1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
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1-(4-ethylphenyl)-2-phenylethanone
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2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
CID 131675810
4-(4-ethylphenyl)benzamide
CID 53425878
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
1-(4-ethylphenyl)hexane-1,3-dione
CID 61393286
4-(4-ethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727213
5-bromo-1-(4-ethylphenyl)pentan-1-one
CID 146006591
1-(4-ethylphenyl)-3-methylidenepentan-1-one
CID 66044562
[2-(4-bromophenyl)-2-oxoethyl] 4-ethylbenzoate
CID 874966

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-ethylphenyl)ethanone (CID 19427259) is 2-amino-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)CN)cc1.
What is the InChIKey of 2-amino-1-(4-ethylphenyl)ethanone?
The InChIKey is JTKYCUVENBFCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6H,2,7,11H2,1H3.
What are the key properties of 2-amino-1-(4-ethylphenyl)ethanone?
2-amino-1-(4-ethylphenyl)ethanone has a molecular weight of 163.22 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 19427259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).