1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine

C11H15ClFNO2S — CID 55152422

IUPAC1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
SMILESCNC(CCS(C)(=O)=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO2S/c1-14-11(5-6-17(2,15)16)9-4-3-8(13)7-10(9)12/h3-4,7,11,14H,5-6H2,1-2H3
InChIKeyVUTBOWNXVUPIPN-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.17
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine

1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine (PubChem CID 55152422) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
PubChem CID55152422
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
SMILESCNC(CCS(C)(=O)=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO2S/c1-14-11(5-6-17(2,15)16)9-4-3-8(13)7-10(9)12/h3-4,7,11,14H,5-6H2,1-2H3
InChIKeyVUTBOWNXVUPIPN-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine
CID 62944368
1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine
CID 62946027
1-(2-chloro-4-fluorophenyl)-4-methylsulfonyl-N-propylbutan-1-amine
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1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 55182167
2-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 119957538
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848387
[1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985187
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63420064
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63420241
1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 63419888
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide
CID 95632056

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine (CID 55152422) is 1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine is CNC(CCS(C)(=O)=O)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine?
The InChIKey is VUTBOWNXVUPIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-14-11(5-6-17(2,15)16)9-4-3-8(13)7-10(9)12/h3-4,7,11,14H,5-6H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine?
1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine has a molecular weight of 279.76 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 55152422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).