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

C12H17Cl2NO2S — CID 43807626

IUPAC2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2S/c1-2-18(16,17)8-7-15-6-5-10-3-4-11(13)9-12(10)14/h3-4,9,15H,2,5-8H2,1H3
InChIKeyJOFNOSXFJQQIFF-UHFFFAOYSA-N
MW310.25 g/mol
LogP2.56
Rot. Bonds7

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

2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine (PubChem CID 43807626) has the molecular formula C12H17Cl2NO2S and a molecular weight of 310.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
PubChem CID43807626
Molecular FormulaC12H17Cl2NO2S
Molecular Weight310.25 g/mol
Exact Mass309.04
IUPAC Name2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2S/c1-2-18(16,17)8-7-15-6-5-10-3-4-11(13)9-12(10)14/h3-4,9,15H,2,5-8H2,1H3
InChIKeyJOFNOSXFJQQIFF-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 52.56
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-propylsulfonylethyl)ethanamine
CID 106723048
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
2-[2-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
CID 112985739
4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
CID 43377886
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
CID 60649518
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine (CID 43807626) is 2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine is CCS(=O)(=O)CCNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The InChIKey is JOFNOSXFJQQIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2S/c1-2-18(16,17)8-7-15-6-5-10-3-4-11(13)9-12(10)14/h3-4,9,15H,2,5-8H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine has a molecular weight of 310.25 g/mol, XLogP of 2.56, 7 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-ethylsulfonylethyl)ethanamine is sourced from PubChem (CID 43807626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).