4-(N-ethyl-2-methylanilino)butan-2-one

C13H19NO — CID 28948801

IUPAC4-(N-ethyl-2-methylanilino)butan-2-one
SMILESCCN(CCC(C)=O)c1ccccc1C
InChIInChI=1S/C13H19NO/c1-4-14(10-9-12(3)15)13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3
InChIKeyARWZREZEEUCYCH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.80
Rot. Bonds5

About 4-(N-ethyl-2-methylanilino)butan-2-one

4-(N-ethyl-2-methylanilino)butan-2-one (PubChem CID 28948801) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(N-ethyl-2-methylanilino)butan-2-one.

Molecular Properties

Compound Name4-(N-ethyl-2-methylanilino)butan-2-one
PubChem CID28948801
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(N-ethyl-2-methylanilino)butan-2-one
SMILESCCN(CCC(C)=O)c1ccccc1C
InChIInChI=1S/C13H19NO/c1-4-14(10-9-12(3)15)13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3
InChIKeyARWZREZEEUCYCH-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(N-ethyl-2-methylanilino)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(N-hydroxy-2-methylanilino)butan-2-one
CID 14740469
methyl 4-(N-ethyl-2-methylanilino)butanoate
CID 43377722
2-(N-ethyl-2-methylanilino)ethanol sulfate
CID 19002397
3-(N-ethyl-2,3-dimethylanilino)propanoic acid
CID 82318760
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807
3-[N-[2-(dimethylamino)ethyl]-2-methylanilino]propanoic acid
CID 60839076
N-ethyl-2-(N-ethyl-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
CID 78820883
methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
CID 63030085
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119853428

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-2-methylanilino)butan-2-one?
The IUPAC name of 4-(N-ethyl-2-methylanilino)butan-2-one (CID 28948801) is 4-(N-ethyl-2-methylanilino)butan-2-one.
What is the SMILES notation for 4-(N-ethyl-2-methylanilino)butan-2-one?
The canonical SMILES for 4-(N-ethyl-2-methylanilino)butan-2-one is CCN(CCC(C)=O)c1ccccc1C.
What is the InChIKey of 4-(N-ethyl-2-methylanilino)butan-2-one?
The InChIKey is ARWZREZEEUCYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-14(10-9-12(3)15)13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 4-(N-ethyl-2-methylanilino)butan-2-one?
4-(N-ethyl-2-methylanilino)butan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-2-methylanilino)butan-2-one is sourced from PubChem (CID 28948801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).