1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine

C16H21N3O — CID 105118214

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cc(C)nnc1C
InChIInChI=1S/C16H21N3O/c1-10-5-6-16(20-4)13(7-10)9-15(17)14-8-11(2)18-19-12(14)3/h5-8,15H,9,17H2,1-4H3
InChIKeyUUBAEVGHABPTJV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds4

About 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine

1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 105118214) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID105118214
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cc(C)nnc1C
InChIInChI=1S/C16H21N3O/c1-10-5-6-16(20-4)13(7-10)9-15(17)14-8-11(2)18-19-12(14)3/h5-8,15H,9,17H2,1-4H3
InChIKeyUUBAEVGHABPTJV-UHFFFAOYSA-N
XLogP2.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105110402
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-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107503260
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133
2-(2-methoxy-5-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755036
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541
1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107968058
2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105132737
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine (CID 105118214) is 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1CC(N)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is UUBAEVGHABPTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-5-6-16(20-4)13(7-10)9-15(17)14-8-11(2)18-19-12(14)3/h5-8,15H,9,17H2,1-4H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 105118214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).