2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine

C17H23N3O — CID 103374401

IUPAC2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1ccc(OC)nn1
InChIInChI=1S/C17H23N3O/c1-5-18-16(15-8-9-17(21-4)20-19-15)11-14-10-12(2)6-7-13(14)3/h6-10,16,18H,5,11H2,1-4H3
InChIKeyMIZPWYAWSAFUNB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.00
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine

2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine (PubChem CID 103374401) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
PubChem CID103374401
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1ccc(OC)nn1
InChIInChI=1S/C17H23N3O/c1-5-18-16(15-8-9-17(21-4)20-19-15)11-14-10-12(2)6-7-13(14)3/h6-10,16,18H,5,11H2,1-4H3
InChIKeyMIZPWYAWSAFUNB-UHFFFAOYSA-N
XLogP3.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxypyridazin-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 103374615
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374657
N-[1-(6-methoxypyridazin-3-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 103374753
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514
2-(2,5-dimethylphenyl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine
CID 105101215
N-ethyl-1-(6-methoxypyridazin-3-yl)butan-1-amine
CID 103374404
N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 107560822
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017
N-ethyl-1-(6-methoxypyridazin-3-yl)hex-4-yn-1-amine
CID 103374605
N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine
CID 103374443
[1-(6-methoxypyridazin-3-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 103375674
1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 81315675

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine (CID 103374401) is 2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine is CCNC(Cc1cc(C)ccc1C)c1ccc(OC)nn1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
The InChIKey is MIZPWYAWSAFUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-18-16(15-8-9-17(21-4)20-19-15)11-14-10-12(2)6-7-13(14)3/h6-10,16,18H,5,11H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine is sourced from PubChem (CID 103374401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).