2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine

C14H15BrFN3O — CID 103374283

IUPAC2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1ccc(OC)nn1
InChIInChI=1S/C14H15BrFN3O/c1-17-13(12-5-6-14(20-2)19-18-12)7-9-3-4-10(16)8-11(9)15/h3-6,8,13,17H,7H2,1-2H3
InChIKeyNLEWCPOLRWFFMC-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.89
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine

2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine (PubChem CID 103374283) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
PubChem CID103374283
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1ccc(OC)nn1
InChIInChI=1S/C14H15BrFN3O/c1-17-13(12-5-6-14(20-2)19-18-12)7-9-3-4-10(16)8-11(9)15/h3-6,8,13,17H,7H2,1-2H3
InChIKeyNLEWCPOLRWFFMC-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 62608660
2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842981
2-(2-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115843230
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843251
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105136403
2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951355
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
CID 79707449
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374657
2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 114894718
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 115843072
3-[2-(6-methoxypyridazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 103374238
2-(2-bromo-4-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106691781

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine (CID 103374283) is 2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine is CNC(Cc1ccc(F)cc1Br)c1ccc(OC)nn1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine?
The InChIKey is NLEWCPOLRWFFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-17-13(12-5-6-14(20-2)19-18-12)7-9-3-4-10(16)8-11(9)15/h3-6,8,13,17H,7H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine?
2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine has a molecular weight of 340.20 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine is sourced from PubChem (CID 103374283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).