1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine

C13H19F2NO2S — CID 115861858

IUPAC1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1cccc(F)c1F)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H19F2NO2S/c1-5-16-12(13(2,3)19(4,17)18)9-7-6-8-10(14)11(9)15/h6-8,12,16H,5H2,1-4H3
InChIKeySPMBOBUYJIFIOA-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.44
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine

1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 115861858) has the molecular formula C13H19F2NO2S and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID115861858
Molecular FormulaC13H19F2NO2S
Molecular Weight291.36 g/mol
Exact Mass291.11
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1cccc(F)c1F)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H19F2NO2S/c1-5-16-12(13(2,3)19(4,17)18)9-7-6-8-10(14)11(9)15/h6-8,12,16H,5H2,1-4H3
InChIKeySPMBOBUYJIFIOA-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-difluorophenyl)-N-ethyl-2-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

N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115827881
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-(2,3-difluorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
CID 116760247
2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine
CID 65132740
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 81045137
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
CID 66205176
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
1-(2,3-difluorophenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 115861992
1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 115781710
1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 79725643
N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 115799186

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine (CID 115861858) is 1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine is CCNC(c1cccc(F)c1F)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is SPMBOBUYJIFIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2S/c1-5-16-12(13(2,3)19(4,17)18)9-7-6-8-10(14)11(9)15/h6-8,12,16H,5H2,1-4H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 291.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115861858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).