6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine

C16H19F2N3O — CID 176515337

IUPAC6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine
SMILESCNCCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C16H19F2N3O/c1-10-5-12(21-15(19)6-10)9-22-14-8-11(3-4-20-2)7-13(17)16(14)18/h5-8,20H,3-4,9H2,1-2H3,(H2,19,21)
InChIKeyZZDNZFBZKZFPJU-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.59
Rot. Bonds6

About 6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine

6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine (PubChem CID 176515337) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine
PubChem CID176515337
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine
SMILESCNCCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C16H19F2N3O/c1-10-5-12(21-15(19)6-10)9-22-14-8-11(3-4-20-2)7-13(17)16(14)18/h5-8,20H,3-4,9H2,1-2H3,(H2,19,21)
InChIKeyZZDNZFBZKZFPJU-UHFFFAOYSA-N
XLogP2.59
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine (CID 176515337) is 6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine is CNCCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1.
What is the InChIKey of 6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine?
The InChIKey is ZZDNZFBZKZFPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-10-5-12(21-15(19)6-10)9-22-14-8-11(3-4-20-2)7-13(17)16(14)18/h5-8,20H,3-4,9H2,1-2H3,(H2,19,21).
What are the key properties of 6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine?
6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine has a molecular weight of 307.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 176515337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).