1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine

C11H15BrFNO2S — CID 113229521

IUPAC1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
SMILESCNC(Cc1cc(Br)ccc1F)CS(C)(=O)=O
InChIInChI=1S/C11H15BrFNO2S/c1-14-10(7-17(2,15)16)6-8-5-9(12)3-4-11(8)13/h3-5,10,14H,6-7H2,1-2H3
InChIKeyPETFZAAUBZCTNZ-UHFFFAOYSA-N
MW324.22 g/mol
LogP1.76
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine

1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine (PubChem CID 113229521) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
PubChem CID113229521
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
SMILESCNC(Cc1cc(Br)ccc1F)CS(C)(=O)=O
InChIInChI=1S/C11H15BrFNO2S/c1-14-10(7-17(2,15)16)6-8-5-9(12)3-4-11(8)13/h3-5,10,14H,6-7H2,1-2H3
InChIKeyPETFZAAUBZCTNZ-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol
CID 115601604
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CID 115839350
1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 55093519
1-(5-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601970
1-(5-bromo-2-fluorophenyl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128799
1-(5-bromo-2-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105132287
1-(5-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105131693
1-(5-bromo-2-fluorophenyl)-3-methylsulfonylbutan-2-ol
CID 115784947
1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 112688271
1-(5-bromo-2-fluorophenyl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
CID 103559180
1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine
CID 114808753
2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 115839656

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine (CID 113229521) is 1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine is CNC(Cc1cc(Br)ccc1F)CS(C)(=O)=O.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The InChIKey is PETFZAAUBZCTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-14-10(7-17(2,15)16)6-8-5-9(12)3-4-11(8)13/h3-5,10,14H,6-7H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine has a molecular weight of 324.22 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 113229521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).