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

C15H24FNO2S — CID 115865493

IUPACN-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1cccc(C)c1F
InChIInChI=1S/C15H24FNO2S/c1-4-17-14(10-7-11-20(18,19)5-2)13-9-6-8-12(3)15(13)16/h6,8-9,14,17H,4-5,7,10-11H2,1-3H3
InChIKeyAFFUCQYRRRPJRY-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.00
Rot. Bonds8

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

N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine (PubChem CID 115865493) has the molecular formula C15H24FNO2S and a molecular weight of 301.43 g/mol. Its IUPAC name is N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine
PubChem CID115865493
Molecular FormulaC15H24FNO2S
Molecular Weight301.43 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1cccc(C)c1F
InChIInChI=1S/C15H24FNO2S/c1-4-17-14(10-7-11-20(18,19)5-2)13-9-6-8-12(3)15(13)16/h6,8-9,14,17H,4-5,7,10-11H2,1-3H3
InChIKeyAFFUCQYRRRPJRY-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 115865374
N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
CID 105028931
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292
[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290996
[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 107954240
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 114894962
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 81301655
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81477799
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848387
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152645

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine (CID 115865493) is N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine is CCNC(CCCS(=O)(=O)CC)c1cccc(C)c1F.
What is the InChIKey of N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine?
The InChIKey is AFFUCQYRRRPJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2S/c1-4-17-14(10-7-11-20(18,19)5-2)13-9-6-8-12(3)15(13)16/h6,8-9,14,17H,4-5,7,10-11H2,1-3H3.
What are the key properties of N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine?
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine has a molecular weight of 301.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine is sourced from PubChem (CID 115865493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).