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

C15H17F2N3O — CID 103374402

IUPAC2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1ccc(OC)nn1
InChIInChI=1S/C15H17F2N3O/c1-3-18-14(13-6-7-15(21-2)20-19-13)9-10-8-11(16)4-5-12(10)17/h4-8,14,18H,3,9H2,1-2H3
InChIKeyQFPABCMIRHYACS-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.66
Rot. Bonds6

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

2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine (PubChem CID 103374402) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
PubChem CID103374402
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1ccc(OC)nn1
InChIInChI=1S/C15H17F2N3O/c1-3-18-14(13-6-7-15(21-2)20-19-13)9-10-8-11(16)4-5-12(10)17/h4-8,14,18H,3,9H2,1-2H3
InChIKeyQFPABCMIRHYACS-UHFFFAOYSA-N
XLogP2.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.66
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)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine (CID 103374402) is 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine is CCNC(Cc1cc(F)ccc1F)c1ccc(OC)nn1.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
The InChIKey is QFPABCMIRHYACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-3-18-14(13-6-7-15(21-2)20-19-13)9-10-8-11(16)4-5-12(10)17/h4-8,14,18H,3,9H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine has a molecular weight of 293.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine is sourced from PubChem (CID 103374402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).