3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine

C15H18FN3S — CID 66071805

IUPAC3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine
SMILESCNC(CSc1ccc(F)cc1)c1c(C)ccnc1N
InChIInChI=1S/C15H18FN3S/c1-10-7-8-19-15(17)14(10)13(18-2)9-20-12-5-3-11(16)4-6-12/h3-8,13,18H,9H2,1-2H3,(H2,17,19)
InChIKeyAVUHZCRHOHPOJE-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.16
Rot. Bonds5

About 3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine

3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine (PubChem CID 66071805) has the molecular formula C15H18FN3S and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine
PubChem CID66071805
Molecular FormulaC15H18FN3S
Molecular Weight291.40 g/mol
Exact Mass291.12
IUPAC Name3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine
SMILESCNC(CSc1ccc(F)cc1)c1c(C)ccnc1N
InChIInChI=1S/C15H18FN3S/c1-10-7-8-19-15(17)14(10)13(18-2)9-20-12-5-3-11(16)4-6-12/h3-8,13,18H,9H2,1-2H3,(H2,17,19)
InChIKeyAVUHZCRHOHPOJE-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66098635
3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine
CID 105237021
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 82802933
2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 66071816
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
3-[2-(2,4-difluorophenyl)-1-hydrazinylethyl]-4-methylpyridin-2-amine
CID 105223198
3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine
CID 65128214
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]-4-methylpyridin-2-amine
CID 116760734
1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072018
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82822057
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66271230
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881691

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine (CID 66071805) is 3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine is CNC(CSc1ccc(F)cc1)c1c(C)ccnc1N.
What is the InChIKey of 3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine?
The InChIKey is AVUHZCRHOHPOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-10-7-8-19-15(17)14(10)13(18-2)9-20-12-5-3-11(16)4-6-12/h3-8,13,18H,9H2,1-2H3,(H2,17,19).
What are the key properties of 3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine?
3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine has a molecular weight of 291.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 66071805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).