2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine

C15H18FN3O2 — CID 103374164

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)c1ccc(OC)nn1
InChIInChI=1S/C15H18FN3O2/c1-17-13(12-5-7-15(21-3)19-18-12)9-10-4-6-14(20-2)11(16)8-10/h4-8,13,17H,9H2,1-3H3
InChIKeyMHCWGRGKQRDLDD-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.14
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine

2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine (PubChem CID 103374164) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
PubChem CID103374164
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)c1ccc(OC)nn1
InChIInChI=1S/C15H18FN3O2/c1-17-13(12-5-7-15(21-3)19-18-12)9-10-4-6-14(20-2)11(16)8-10/h4-8,13,17H,9H2,1-3H3
InChIKeyMHCWGRGKQRDLDD-UHFFFAOYSA-N
XLogP2.14
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 103374344
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530632
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374612
2-(3-fluoro-4-methoxyphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115829524
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343
2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 62605096
1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79783537
1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115830032
2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374283
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 105122368

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine (CID 103374164) is 2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine is CNC(Cc1ccc(OC)c(F)c1)c1ccc(OC)nn1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine?
The InChIKey is MHCWGRGKQRDLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-17-13(12-5-7-15(21-3)19-18-12)9-10-4-6-14(20-2)11(16)8-10/h4-8,13,17H,9H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine?
2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine has a molecular weight of 291.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine is sourced from PubChem (CID 103374164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).