5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol

C20H19FN2O3 — CID 47078014

IUPAC5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCc2ccc(Oc3cccnc3)c(F)c2)cc1O
InChIInChI=1S/C20H19FN2O3/c1-25-20-7-5-15(10-18(20)24)12-23-11-14-4-6-19(17(21)9-14)26-16-3-2-8-22-13-16/h2-10,13,23-24H,11-12H2,1H3
InChIKeyYBGUVUPWKZVPGJ-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.02
Rot. Bonds7

About 5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol

5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol (PubChem CID 47078014) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol
PubChem CID47078014
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCc2ccc(Oc3cccnc3)c(F)c2)cc1O
InChIInChI=1S/C20H19FN2O3/c1-25-20-7-5-15(10-18(20)24)12-23-11-14-4-6-19(17(21)9-14)26-16-3-2-8-22-13-16/h2-10,13,23-24H,11-12H2,1H3
InChIKeyYBGUVUPWKZVPGJ-UHFFFAOYSA-N
XLogP4.02
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol (CID 47078014) is 5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol is COc1ccc(CNCc2ccc(Oc3cccnc3)c(F)c2)cc1O.
What is the InChIKey of 5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol?
The InChIKey is YBGUVUPWKZVPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-25-20-7-5-15(10-18(20)24)12-23-11-14-4-6-19(17(21)9-14)26-16-3-2-8-22-13-16/h2-10,13,23-24H,11-12H2,1H3.
What are the key properties of 5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol?
5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol has a molecular weight of 354.38 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 47078014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).