N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine

C13H20FNO2S — CID 115827881

IUPACN-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccccc1F)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H20FNO2S/c1-5-15-12(13(2,3)18(4,16)17)10-8-6-7-9-11(10)14/h6-9,12,15H,5H2,1-4H3
InChIKeyOXMBNQKRDORGAU-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.30
Rot. Bonds5

About N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine

N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 115827881) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID115827881
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC NameN-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccccc1F)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H20FNO2S/c1-5-15-12(13(2,3)18(4,16)17)10-8-6-7-9-11(10)14/h6-9,12,15H,5H2,1-4H3
InChIKeyOXMBNQKRDORGAU-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115861858
N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 105038168
1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115853596
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 81045137
1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 115781710
N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
CID 116761268
1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 79725643
2-bromo-1-(2-fluorophenyl)-2-methylsulfonylbutan-1-ol
CID 102550507
N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 115799186
N-ethyl-1-(2-ethylphenyl)-2,2-dimethylpropan-1-amine
CID 115854373
2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 166717657
N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 114282092

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine (CID 115827881) is N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine is CCNC(c1ccccc1F)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is OXMBNQKRDORGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-5-15-12(13(2,3)18(4,16)17)10-8-6-7-9-11(10)14/h6-9,12,15H,5H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 273.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115827881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).