1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone

C14H20Cl2N2O — CID 63699718

IUPAC1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
SMILESCN(C)CCCN(C)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-17(2)7-4-8-18(3)10-14(19)12-6-5-11(15)9-13(12)16/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyYYRTWJPQUROXQX-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.06
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone

1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone (PubChem CID 63699718) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
PubChem CID63699718
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
SMILESCN(C)CCCN(C)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-17(2)7-4-8-18(3)10-14(19)12-6-5-11(15)9-13(12)16/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyYYRTWJPQUROXQX-UHFFFAOYSA-N
XLogP3.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]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

1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone
CID 102995029
1-(4-bromo-2-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propan-1-one
CID 82779868
1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650610
N-cyclopropyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 60681736
1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone
CID 43795354
1-(2,5-dichlorophenyl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61427107
1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661947
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone
CID 63566489
1-(2,4-dichlorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319415
2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 43796704
1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 54946377
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone (CID 63699718) is 1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone is CN(C)CCCN(C)CC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone?
The InChIKey is YYRTWJPQUROXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-17(2)7-4-8-18(3)10-14(19)12-6-5-11(15)9-13(12)16/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone?
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone has a molecular weight of 303.23 g/mol, XLogP of 3.06, 7 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-[3-(dimethylamino)propyl-methylamino]ethanone is sourced from PubChem (CID 63699718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).