1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone

C15H22Cl2N2O — CID 102995029

IUPAC1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone
SMILESCCN(CCCN(C)C)CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-4-19(9-5-8-18(2)3)11-15(20)13-10-12(16)6-7-14(13)17/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyAPFCIGDWLHWVQS-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.45
Rot. Bonds8

About 1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone

1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone (PubChem CID 102995029) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone
PubChem CID102995029
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone
SMILESCCN(CCCN(C)C)CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-4-19(9-5-8-18(2)3)11-15(20)13-10-12(16)6-7-14(13)17/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyAPFCIGDWLHWVQS-UHFFFAOYSA-N
XLogP3.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone
CID 43795354
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 63699718
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
CID 127255589
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892
3-(diethylamino)propyl 2,5-dichlorobenzoate
CID 3027468
2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 102995078
2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
CID 43797615
1-(2,5-dichlorophenyl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61427107
1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661947
1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63565926
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone (CID 102995029) is 1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone is CCN(CCCN(C)C)CC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone?
The InChIKey is APFCIGDWLHWVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-4-19(9-5-8-18(2)3)11-15(20)13-10-12(16)6-7-14(13)17/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone?
1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone has a molecular weight of 317.26 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone is sourced from PubChem (CID 102995029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).