3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine

C15H16F2N2S — CID 62468384

IUPAC3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CSc1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2S/c1-2-7-18-15-11(4-3-8-19-15)10-20-14-6-5-12(16)9-13(14)17/h3-6,8-9H,2,7,10H2,1H3,(H,18,19)
InChIKeyCULFSDUCIYIEOZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.47
Rot. Bonds6

About 3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine

3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 62468384) has the molecular formula C15H16F2N2S and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID62468384
Molecular FormulaC15H16F2N2S
Molecular Weight294.37 g/mol
Exact Mass294.10
IUPAC Name3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CSc1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2S/c1-2-7-18-15-11(4-3-8-19-15)10-20-14-6-5-12(16)9-13(14)17/h3-6,8-9H,2,7,10H2,1H3,(H,18,19)
InChIKeyCULFSDUCIYIEOZ-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465416
3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468389
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62468556
N-propyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55076591
3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol
CID 79671550
3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 107660665
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62467130
N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide
CID 114231922
N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
CID 61385821
1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene
CID 52520219
3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465576

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 62468384) is 3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CSc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is CULFSDUCIYIEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2S/c1-2-7-18-15-11(4-3-8-19-15)10-20-14-6-5-12(16)9-13(14)17/h3-6,8-9H,2,7,10H2,1H3,(H,18,19).
What are the key properties of 3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 294.37 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62468384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).