1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine

C17H23N3 — CID 105091614

IUPAC1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1cc(C)nnc1C
InChIInChI=1S/C17H23N3/c1-5-18-17(11-15-9-7-6-8-12(15)2)16-10-13(3)19-20-14(16)4/h6-10,17-18H,5,11H2,1-4H3
InChIKeySXKKJBLBXNNDIJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.30
Rot. Bonds5

About 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine

1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine (PubChem CID 105091614) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
PubChem CID105091614
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1cc(C)nnc1C
InChIInChI=1S/C17H23N3/c1-5-18-17(11-15-9-7-6-8-12(15)2)16-10-13(3)19-20-14(16)4/h6-10,17-18H,5,11H2,1-4H3
InChIKeySXKKJBLBXNNDIJ-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 105091949
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 107988840
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63416853
2-(3-bromo-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-ethylethanamine
CID 105169361
N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine
CID 105083698
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
2-cyclopropyl-1-(3,6-dimethylpyridazin-4-yl)-N-ethylethanamine
CID 105152783
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105165788

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine (CID 105091614) is 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The InChIKey is SXKKJBLBXNNDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-18-17(11-15-9-7-6-8-12(15)2)16-10-13(3)19-20-14(16)4/h6-10,17-18H,5,11H2,1-4H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 105091614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).