2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine

C13H13F2N3O — CID 103373744

IUPAC2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2cc(F)ccc2F)nn1
InChIInChI=1S/C13H13F2N3O/c1-19-13-5-4-12(17-18-13)11(16)7-8-6-9(14)2-3-10(8)15/h2-6,11H,7,16H2,1H3
InChIKeyVTNKLJHZHRGVCO-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.01
Rot. Bonds4

About 2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine

2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine (PubChem CID 103373744) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine
PubChem CID103373744
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2cc(F)ccc2F)nn1
InChIInChI=1S/C13H13F2N3O/c1-19-13-5-4-12(17-18-13)11(16)7-8-6-9(14)2-3-10(8)15/h2-6,11H,7,16H2,1H3
InChIKeyVTNKLJHZHRGVCO-UHFFFAOYSA-N
XLogP2.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine (CID 103373744) is 2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine is COc1ccc(C(N)Cc2cc(F)ccc2F)nn1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine?
The InChIKey is VTNKLJHZHRGVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-19-13-5-4-12(17-18-13)11(16)7-8-6-9(14)2-3-10(8)15/h2-6,11H,7,16H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine?
2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine has a molecular weight of 265.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanamine is sourced from PubChem (CID 103373744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).