N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine

C14H15BrFN3O — CID 62297084

IUPACN-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(F)cc2Br)nn1
InChIInChI=1S/C14H15BrFN3O/c1-2-7-17-9-11-4-6-14(19-18-11)20-13-5-3-10(16)8-12(13)15/h3-6,8,17H,2,7,9H2,1H3
InChIKeyMUQDXGWFHCMZTB-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.67
Rot. Bonds6

About N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 62297084) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID62297084
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC NameN-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(F)cc2Br)nn1
InChIInChI=1S/C14H15BrFN3O/c1-2-7-17-9-11-4-6-14(19-18-11)20-13-5-3-10(16)8-12(13)15/h3-6,8,17H,2,7,9H2,1H3
InChIKeyMUQDXGWFHCMZTB-UHFFFAOYSA-N
XLogP3.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(3-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323410
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862
N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62321643
N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine
CID 103175510
N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107170628
N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
CID 62298131
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
4-(2-bromo-4-fluorophenoxy)-N-propylbutan-1-amine
CID 62450934
N-[[1-(2-bromo-4-fluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 66205048
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148
2-(2-bromo-4-fluorophenoxy)-3-methyl-N-propylbutan-1-amine
CID 55078029
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine (CID 62297084) is N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(Oc2ccc(F)cc2Br)nn1.
What is the InChIKey of N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is MUQDXGWFHCMZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-2-7-17-9-11-4-6-14(19-18-11)20-13-5-3-10(16)8-12(13)15/h3-6,8,17H,2,7,9H2,1H3.
What are the key properties of N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 340.20 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62297084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).