1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine

C15H19N3O — CID 103373753

IUPAC1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine
SMILESCOc1ccc(C(N)CCCc2ccccc2)nn1
InChIInChI=1S/C15H19N3O/c1-19-15-11-10-14(17-18-15)13(16)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11,13H,5,8-9,16H2,1H3
InChIKeyBLFLSKJFJWEBMF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.51
Rot. Bonds6

About 1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine

1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine (PubChem CID 103373753) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine
PubChem CID103373753
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine
SMILESCOc1ccc(C(N)CCCc2ccccc2)nn1
InChIInChI=1S/C15H19N3O/c1-19-15-11-10-14(17-18-15)13(16)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11,13H,5,8-9,16H2,1H3
InChIKeyBLFLSKJFJWEBMF-UHFFFAOYSA-N
XLogP2.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
[1-(6-methoxypyrimidin-4-yl)-4-phenylbutyl]hydrazine
CID 102953393
2-methoxy-2-methyl-6-phenylhexan-3-amine
CID 79197663
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
1-(6-methoxypyridazin-3-yl)-2-(4-methylphenyl)ethanamine
CID 103373893
4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46944113
(1R)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 69002716
1-dimethoxysilyl-5-phenylpentan-2-amine
CID 174935526
(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine
CID 105186612
1-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-phenylpropan-1-amine
CID 114917451
1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine (CID 103373753) is 1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine is COc1ccc(C(N)CCCc2ccccc2)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine?
The InChIKey is BLFLSKJFJWEBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-11-10-14(17-18-15)13(16)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11,13H,5,8-9,16H2,1H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine?
1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.51, 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)-4-phenylbutan-1-amine is sourced from PubChem (CID 103373753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).