2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine

C15H18BrN3O — CID 105110402

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1cc(C)nnc1C
InChIInChI=1S/C15H18BrN3O/c1-9-6-13(10(2)19-18-9)14(17)8-11-7-12(16)4-5-15(11)20-3/h4-7,14H,8,17H2,1-3H3
InChIKeyVDTGKZAURFLKCD-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.11
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine

2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine (PubChem CID 105110402) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
PubChem CID105110402
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1cc(C)nnc1C
InChIInChI=1S/C15H18BrN3O/c1-9-6-13(10(2)19-18-9)14(17)8-11-7-12(16)4-5-15(11)20-3/h4-7,14H,8,17H2,1-3H3
InChIKeyVDTGKZAURFLKCD-UHFFFAOYSA-N
XLogP3.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118214
2-(5-chloro-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105137374
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107599
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105082045
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 115816754
2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine (CID 105110402) is 2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine is COc1ccc(Br)cc1CC(N)c1cc(C)nnc1C.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The InChIKey is VDTGKZAURFLKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9-6-13(10(2)19-18-9)14(17)8-11-7-12(16)4-5-15(11)20-3/h4-7,14H,8,17H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine is sourced from PubChem (CID 105110402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).