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

C11H15BrFNO2S — CID 105011894

IUPAC1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cc(Br)ccc1F)C(C)S(C)(=O)=O
InChIInChI=1S/C11H15BrFNO2S/c1-7(17(3,15)16)11(14-2)9-6-8(12)4-5-10(9)13/h4-7,11,14H,1-3H3
InChIKeyFWSPJHASFGSFLW-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.28
Rot. Bonds4

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

1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 105011894) 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-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
PubChem CID105011894
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cc(Br)ccc1F)C(C)S(C)(=O)=O
InChIInChI=1S/C11H15BrFNO2S/c1-7(17(3,15)16)11(14-2)9-6-8(12)4-5-10(9)13/h4-7,11,14H,1-3H3
InChIKeyFWSPJHASFGSFLW-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105011902
2-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959731
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
CID 81333212
1-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518513
(2S)-2-(5-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 51675216
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
2-(5-bromo-2-fluorophenyl)-N-methylpropan-1-amine
CID 82974107
1-(5-bromo-2-fluorophenyl)-3-methylsulfonylbutan-2-ol
CID 115784947
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518936
1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine
CID 114201055

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine (CID 105011894) is 1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine is CNC(c1cc(Br)ccc1F)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is FWSPJHASFGSFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-7(17(3,15)16)11(14-2)9-6-8(12)4-5-10(9)13/h4-7,11,14H,1-3H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 324.22 g/mol, XLogP of 2.28, 4 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-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 105011894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).