1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine

C11H15BrFNO2S — CID 106647936

IUPAC1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1cccc(Br)c1F
InChIInChI=1S/C11H15BrFNO2S/c1-3-14-10(7-17(2,15)16)8-5-4-6-9(12)11(8)13/h4-6,10,14H,3,7H2,1-2H3
InChIKeyLUCAJBVTTLFFQW-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.28
Rot. Bonds5

About 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine

1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine (PubChem CID 106647936) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine
PubChem CID106647936
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1cccc(Br)c1F
InChIInChI=1S/C11H15BrFNO2S/c1-3-14-10(7-17(2,15)16)8-5-4-6-9(12)11(8)13/h4-6,10,14H,3,7H2,1-2H3
InChIKeyLUCAJBVTTLFFQW-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 114020071
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 106645738
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 106645644
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
1-(3-bromo-2-fluorophenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 106648074
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine
CID 106648061
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 106646214
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 106648197
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106647869
[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 107954240
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106645514

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine (CID 106647936) is 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine is CCNC(CS(C)(=O)=O)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine?
The InChIKey is LUCAJBVTTLFFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-3-14-10(7-17(2,15)16)8-5-4-6-9(12)11(8)13/h4-6,10,14H,3,7H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine?
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine has a molecular weight of 324.22 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-ethyl-2-methylsulfonylethanamine is sourced from PubChem (CID 106647936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).