1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine

C13H19Cl2NO2S — CID 103864785

IUPAC1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCC(NCCS(=O)(=O)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-9(2)19(17,18)7-6-16-10(3)12-5-4-11(14)8-13(12)15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyLUKQPZDQKUUMHC-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.47
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine

1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine (PubChem CID 103864785) has the molecular formula C13H19Cl2NO2S and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
PubChem CID103864785
Molecular FormulaC13H19Cl2NO2S
Molecular Weight324.27 g/mol
Exact Mass323.05
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCC(NCCS(=O)(=O)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-9(2)19(17,18)7-6-16-10(3)12-5-4-11(14)8-13(12)15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyLUKQPZDQKUUMHC-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 54906241
N-[1-(2,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635920
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115720989
1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82773613
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79557984
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
CID 55025461
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933
N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide
CID 47108536
N-[1-(2,4-dichlorophenyl)ethyl]pent-3-yn-1-amine
CID 104756778
4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]butanenitrile
CID 28579571
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760939
N-[1-(2,4-dichlorophenyl)ethyl]but-2-yn-1-amine
CID 62312519

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine (CID 103864785) is 1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine is CC(NCCS(=O)(=O)C(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The InChIKey is LUKQPZDQKUUMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2S/c1-9(2)19(17,18)7-6-16-10(3)12-5-4-11(14)8-13(12)15/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine?
1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine has a molecular weight of 324.27 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine is sourced from PubChem (CID 103864785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).