1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine

C12H18FNO2S — CID 115848387

IUPAC1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
SMILESCNC(CCS(C)(=O)=O)c1cccc(C)c1F
InChIInChI=1S/C12H18FNO2S/c1-9-5-4-6-10(12(9)13)11(14-2)7-8-17(3,15)16/h4-6,11,14H,7-8H2,1-3H3
InChIKeyRXJKBEPYHACTQL-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.83
Rot. Bonds5

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

1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine (PubChem CID 115848387) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
PubChem CID115848387
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
SMILESCNC(CCS(C)(=O)=O)c1cccc(C)c1F
InChIInChI=1S/C12H18FNO2S/c1-9-5-4-6-10(12(9)13)11(14-2)7-8-17(3,15)16/h4-6,11,14H,7-8H2,1-3H3
InChIKeyRXJKBEPYHACTQL-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290996
1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834345
N-methyl-1-(2-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 63192498
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
CID 127004323
N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 62603574
1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 55152422
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 114984068
1-(2-methoxy-5-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848296
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine
CID 115865493
1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81477797
[1-(2-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine (CID 115848387) is 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine is CNC(CCS(C)(=O)=O)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine?
The InChIKey is RXJKBEPYHACTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-9-5-4-6-10(12(9)13)11(14-2)7-8-17(3,15)16/h4-6,11,14H,7-8H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine?
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115848387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).