1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone

C13H17Cl2NO2 — CID 54946377

IUPAC1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
SMILESCOCC(C)N(C)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-9(8-18-3)16(2)7-13(17)11-5-4-10(14)6-12(11)15/h4-6,9H,7-8H2,1-3H3
InChIKeyRYZUBEAFICECHO-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.14
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone

1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone (PubChem CID 54946377) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
PubChem CID54946377
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
SMILESCOCC(C)N(C)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-9(8-18-3)16(2)7-13(17)11-5-4-10(14)6-12(11)15/h4-6,9H,7-8H2,1-3H3
InChIKeyRYZUBEAFICECHO-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone 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

2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 43796704
1-(2,5-dichlorophenyl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61427107
3-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223172
1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
CID 61446505
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452057
1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone
CID 43795354
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 63699718
1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
CID 103489285
1-(2,5-dichlorophenyl)-4-methoxy-3-methylbutan-1-one
CID 105095321
1-(2,4-dichlorophenyl)-3-methylhexan-1-one
CID 114968710
2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 43794977
2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
CID 61451901

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone (CID 54946377) is 1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone is COCC(C)N(C)CC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
The InChIKey is RYZUBEAFICECHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-9(8-18-3)16(2)7-13(17)11-5-4-10(14)6-12(11)15/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone has a molecular weight of 290.19 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone is sourced from PubChem (CID 54946377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).