1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine

C16H19FN2S — CID 102925158

IUPAC1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1cc(C)cc(C)n1
InChIInChI=1S/C16H19FN2S/c1-10-8-11(2)19-15(9-10)20-14-7-5-6-13(17)16(14)12(3)18-4/h5-9,12,18H,1-4H3
InChIKeyLABRSNIAHTWYRZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.27
Rot. Bonds4

About 1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine

1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine (PubChem CID 102925158) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
PubChem CID102925158
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1cc(C)cc(C)n1
InChIInChI=1S/C16H19FN2S/c1-10-8-11(2)19-15(9-10)20-14-7-5-6-13(17)16(14)12(3)18-4/h5-9,12,18H,1-4H3
InChIKeyLABRSNIAHTWYRZ-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
CID 43286290
1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine
CID 43286140
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
CID 102924564
1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
CID 43286543
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methylsulfanylphenyl]methanamine
CID 102925284
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
1-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorophenyl]propan-2-amine
CID 102926264
1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
CID 43286360
(1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol
CID 102926203
N-[[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
CID 102926107
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine
CID 102926419
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine (CID 102925158) is 1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Sc1cc(C)cc(C)n1.
What is the InChIKey of 1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine?
The InChIKey is LABRSNIAHTWYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-10-8-11(2)19-15(9-10)20-14-7-5-6-13(17)16(14)12(3)18-4/h5-9,12,18H,1-4H3.
What are the key properties of 1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine?
1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine has a molecular weight of 290.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 102925158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).