N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine

C13H14BrN3O — CID 62297651

IUPACN-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(Br)cc2)nn1
InChIInChI=1S/C13H14BrN3O/c1-2-15-9-11-5-8-13(17-16-11)18-12-6-3-10(14)4-7-12/h3-8,15H,2,9H2,1H3
InChIKeyABFAPSPNMWUHSS-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.14
Rot. Bonds5

About N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine

N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine (PubChem CID 62297651) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine
PubChem CID62297651
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(Br)cc2)nn1
InChIInChI=1S/C13H14BrN3O/c1-2-15-9-11-5-8-13(17-16-11)18-12-6-3-10(14)4-7-12/h3-8,15H,2,9H2,1H3
InChIKeyABFAPSPNMWUHSS-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine (CID 62297651) is N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(Oc2ccc(Br)cc2)nn1.
What is the InChIKey of N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is ABFAPSPNMWUHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-15-9-11-5-8-13(17-16-11)18-12-6-3-10(14)4-7-12/h3-8,15H,2,9H2,1H3.
What are the key properties of N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine?
N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 308.18 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromophenoxy)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62297651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).