1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one

C13H18FNOS — CID 112661956

IUPAC1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one
SMILESCSCCN(C)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNOS/c1-15(7-8-17-2)10-13(16)9-11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3
InChIKeyCHUPAINCGNRNMQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.23
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one

1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one (PubChem CID 112661956) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one
PubChem CID112661956
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one
SMILESCSCCN(C)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNOS/c1-15(7-8-17-2)10-13(16)9-11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3
InChIKeyCHUPAINCGNRNMQ-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[methyl(3-methylsulfanylpropyl)amino]propan-2-one
CID 114237478
1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one
CID 62052606
1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 81058187
1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
CID 114243242
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one
CID 105415832
N-[(4-iodophenyl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 112700451
2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
CID 62034961
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112657803
2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone
CID 112661909
1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 43795966
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one (CID 112661956) is 1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one is CSCCN(C)CC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one?
The InChIKey is CHUPAINCGNRNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-15(7-8-17-2)10-13(16)9-11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one?
1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one has a molecular weight of 255.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one is sourced from PubChem (CID 112661956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).