2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine

C13H19Cl2NO2S — CID 106723048

IUPAC2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
SMILESCCCS(=O)(=O)CCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-2-8-19(17,18)9-7-16-6-5-11-3-4-12(14)10-13(11)15/h3-4,10,16H,2,5-9H2,1H3
InChIKeyOKUUDTALMWKZAO-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.95
Rot. Bonds8

About 2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine

2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine (PubChem CID 106723048) has the molecular formula C13H19Cl2NO2S and a molecular weight of 324.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
PubChem CID106723048
Molecular FormulaC13H19Cl2NO2S
Molecular Weight324.27 g/mol
Exact Mass323.05
IUPAC Name2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
SMILESCCCS(=O)(=O)CCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-2-8-19(17,18)9-7-16-6-5-11-3-4-12(14)10-13(11)15/h3-4,10,16H,2,5-9H2,1H3
InChIKeyOKUUDTALMWKZAO-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.95
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-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807626
N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
CID 112985739
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
2-[2-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide
CID 113015866
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
CID 43377886
N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 110789776
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine (CID 106723048) is 2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine is CCCS(=O)(=O)CCNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine?
The InChIKey is OKUUDTALMWKZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2S/c1-2-8-19(17,18)9-7-16-6-5-11-3-4-12(14)10-13(11)15/h3-4,10,16H,2,5-9H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine?
2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine has a molecular weight of 324.27 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine is sourced from PubChem (CID 106723048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).