1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone

C13H19ClN2O — CID 82101452

IUPAC1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
SMILESCN(C)CCCNCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-16(2)9-3-8-15-10-13(17)11-4-6-12(14)7-5-11/h4-7,15H,3,8-10H2,1-2H3
InChIKeyCZJRCKBBELSXOU-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.06
Rot. Bonds7

About 1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone

1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone (PubChem CID 82101452) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
PubChem CID82101452
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
SMILESCN(C)CCCNCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-16(2)9-3-8-15-10-13(17)11-4-6-12(14)7-5-11/h4-7,15H,3,8-10H2,1-2H3
InChIKeyCZJRCKBBELSXOU-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101362
1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
CID 82101433
1-(4-chlorophenyl)-2-(hexylamino)ethanone
CID 82101441
1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82102048
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
CID 82101457
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
4-chloro-3-[[2-[3-(dimethylamino)propylamino]acetyl]amino]benzoic acid
CID 103235957
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583672
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone (CID 82101452) is 1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone is CN(C)CCCNCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone?
The InChIKey is CZJRCKBBELSXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-16(2)9-3-8-15-10-13(17)11-4-6-12(14)7-5-11/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone?
1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone has a molecular weight of 254.76 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone is sourced from PubChem (CID 82101452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).