1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine

C11H15BrClNO2S — CID 82773613

IUPAC1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCC(NCCS(C)(=O)=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO2S/c1-8(14-5-6-17(2,15)16)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUFEFCSOWQXTDCQ-UHFFFAOYSA-N
MW340.67 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine

1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 82773613) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID82773613
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCC(NCCS(C)(=O)=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO2S/c1-8(14-5-6-17(2,15)16)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUFEFCSOWQXTDCQ-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide
CID 82773914
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 54906241
N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
CID 82773597
[1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985187
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 82774647
1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 82773330
1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 82773429
1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103864785
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 82774284
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460430
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 82773805

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine (CID 82773613) is 1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine is CC(NCCS(C)(=O)=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is UFEFCSOWQXTDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c1-8(14-5-6-17(2,15)16)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 340.67 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 82773613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).