1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine

C12H18FNO2S — CID 55095130

IUPAC1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine
SMILESCNC(CCS(C)(=O)=O)Cc1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-14-11(7-8-17(2,15)16)9-10-5-3-4-6-12(10)13/h3-6,11,14H,7-9H2,1-2H3
InChIKeyCDIUNICRBWZRIX-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.39
Rot. Bonds6

About 1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine

1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine (PubChem CID 55095130) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine
PubChem CID55095130
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine
SMILESCNC(CCS(C)(=O)=O)Cc1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-14-11(7-8-17(2,15)16)9-10-5-3-4-6-12(10)13/h3-6,11,14H,7-9H2,1-2H3
InChIKeyCDIUNICRBWZRIX-UHFFFAOYSA-N
XLogP1.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
CID 114984191
1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105090111
1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62472909
4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 61392693
[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine
CID 105206869
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114347757
2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylsulfonylbutanoic acid
CID 43101856
N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 62604364
1-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66070169
N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63199979
5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine (CID 55095130) is 1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine is CNC(CCS(C)(=O)=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine?
The InChIKey is CDIUNICRBWZRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-14-11(7-8-17(2,15)16)9-10-5-3-4-6-12(10)13/h3-6,11,14H,7-9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine?
1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine is sourced from PubChem (CID 55095130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).