N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine

C15H19N3O2 — CID 62321643

IUPACN-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccccc2OC)nn1
InChIInChI=1S/C15H19N3O2/c1-3-10-16-11-12-8-9-15(18-17-12)20-14-7-5-4-6-13(14)19-2/h4-9,16H,3,10-11H2,1-2H3
InChIKeyBPNYRSOWEQUJNS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.78
Rot. Bonds7

About N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 62321643) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID62321643
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccccc2OC)nn1
InChIInChI=1S/C15H19N3O2/c1-3-10-16-11-12-8-9-15(18-17-12)20-14-7-5-4-6-13(14)19-2/h4-9,16H,3,10-11H2,1-2H3
InChIKeyBPNYRSOWEQUJNS-UHFFFAOYSA-N
XLogP2.78
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862
N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62297084
N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine
CID 103175510
N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine
CID 62296888
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148
N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323500
N-[[6-(3-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323410
1-[6-(2,6-dimethoxyphenoxy)pyridazin-3-yl]-N-methylmethanamine
CID 62295663
N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107170628
N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381727
N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 116802800
N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62322422

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine (CID 62321643) is N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(Oc2ccccc2OC)nn1.
What is the InChIKey of N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is BPNYRSOWEQUJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-10-16-11-12-8-9-15(18-17-12)20-14-7-5-4-6-13(14)19-2/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62321643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).