N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine

C13H13F2N3O — CID 55144576

IUPACN-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(F)c2F)nn1
InChIInChI=1S/C13H13F2N3O/c1-2-16-8-9-6-7-12(18-17-9)19-11-5-3-4-10(14)13(11)15/h3-7,16H,2,8H2,1H3
InChIKeyBSRZSKFXVQPVAR-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.66
Rot. Bonds5

About N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine

N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine (PubChem CID 55144576) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine
PubChem CID55144576
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC NameN-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(F)c2F)nn1
InChIInChI=1S/C13H13F2N3O/c1-2-16-8-9-6-7-12(18-17-9)19-11-5-3-4-10(14)13(11)15/h3-7,16H,2,8H2,1H3
InChIKeyBSRZSKFXVQPVAR-UHFFFAOYSA-N
XLogP2.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine (CID 55144576) is N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(Oc2cccc(F)c2F)nn1.
What is the InChIKey of N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is BSRZSKFXVQPVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-2-16-8-9-6-7-12(18-17-9)19-11-5-3-4-10(14)13(11)15/h3-7,16H,2,8H2,1H3.
What are the key properties of N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine?
N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 265.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 55144576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).