1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

C17H23N3O — CID 103374344

IUPAC1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1ccc(OC)nn1
InChIInChI=1S/C17H23N3O/c1-12(2)14-7-5-13(6-8-14)11-16(18-3)15-9-10-17(21-4)20-19-15/h5-10,12,16,18H,11H2,1-4H3
InChIKeyOXBIQGIUDKCTLT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.11
Rot. Bonds6

About 1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 103374344) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID103374344
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1ccc(OC)nn1
InChIInChI=1S/C17H23N3O/c1-12(2)14-7-5-13(6-8-14)11-16(18-3)15-9-10-17(21-4)20-19-15/h5-10,12,16,18H,11H2,1-4H3
InChIKeyOXBIQGIUDKCTLT-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 103375631
2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374164
N-[1-(6-methoxypyridazin-3-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 103374753
N-methyl-1-(4-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63840960
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374612
3-[2-(6-methoxypyridazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 103374238
2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374283
2-cyclobutyl-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374137
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 102951072
1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107974526
N-ethyl-1-(6-methoxypyridazin-3-yl)butan-1-amine
CID 103374404
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (CID 103374344) is 1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)c1ccc(OC)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is OXBIQGIUDKCTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)14-7-5-13(6-8-14)11-16(18-3)15-9-10-17(21-4)20-19-15/h5-10,12,16,18H,11H2,1-4H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 103374344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).