N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine

C14H15F2N3O — CID 103374469

IUPACN-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)nn1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O/c1-3-17-14(10-5-4-9(15)8-11(10)16)12-6-7-13(20-2)19-18-12/h4-8,14,17H,3H2,1-2H3
InChIKeyWFRRNWJSJALLEE-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.46
Rot. Bonds5

About N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine

N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine (PubChem CID 103374469) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
PubChem CID103374469
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)nn1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O/c1-3-17-14(10-5-4-9(15)8-11(10)16)12-6-7-13(20-2)19-18-12/h4-8,14,17H,3H2,1-2H3
InChIKeyWFRRNWJSJALLEE-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine (CID 103374469) is N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine is CCNC(c1ccc(OC)nn1)c1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The InChIKey is WFRRNWJSJALLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-17-14(10-5-4-9(15)8-11(10)16)12-6-7-13(20-2)19-18-12/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine?
N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine has a molecular weight of 279.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine is sourced from PubChem (CID 103374469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).