N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine

C13H20FNO2S — CID 115848474

IUPACN-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1ccc(C)cc1F
InChIInChI=1S/C13H20FNO2S/c1-4-15-13(7-8-18(3,16)17)11-6-5-10(2)9-12(11)14/h5-6,9,13,15H,4,7-8H2,1-3H3
InChIKeyFTRMMQMAJXDFCI-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.22
Rot. Bonds6

About N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine

N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine (PubChem CID 115848474) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine
PubChem CID115848474
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC NameN-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1ccc(C)cc1F
InChIInChI=1S/C13H20FNO2S/c1-4-15-13(7-8-18(3,16)17)11-6-5-10(2)9-12(11)14/h5-6,9,13,15H,4,7-8H2,1-3H3
InChIKeyFTRMMQMAJXDFCI-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methylsulfonyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115848221
1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848588
N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine
CID 115819786
N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984281
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methylsulfonylpropan-1-amine
CID 82810385
1-(2,4-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105143731
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030390
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 115848347
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 81301655
N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine
CID 115848432
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine
CID 105030020

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine (CID 115848474) is N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine is CCNC(CCS(C)(=O)=O)c1ccc(C)cc1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is FTRMMQMAJXDFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-4-15-13(7-8-18(3,16)17)11-6-5-10(2)9-12(11)14/h5-6,9,13,15H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine?
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 273.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115848474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).