N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine

C15H19N3O2 — CID 62296888

IUPACN-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine
SMILESCCCOc1ccccc1Oc1ccc(CNC)nn1
InChIInChI=1S/C15H19N3O2/c1-3-10-19-13-6-4-5-7-14(13)20-15-9-8-12(11-16-2)17-18-15/h4-9,16H,3,10-11H2,1-2H3
InChIKeyWIKZWECXQUQWBZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.78
Rot. Bonds7

About N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine

N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine (PubChem CID 62296888) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine
PubChem CID62296888
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine
SMILESCCCOc1ccccc1Oc1ccc(CNC)nn1
InChIInChI=1S/C15H19N3O2/c1-3-10-19-13-6-4-5-7-14(13)20-15-9-8-12(11-16-2)17-18-15/h4-9,16H,3,10-11H2,1-2H3
InChIKeyWIKZWECXQUQWBZ-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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine (CID 62296888) is N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine is CCCOc1ccccc1Oc1ccc(CNC)nn1.
What is the InChIKey of N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine?
The InChIKey is WIKZWECXQUQWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-10-19-13-6-4-5-7-14(13)20-15-9-8-12(11-16-2)17-18-15/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine?
N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine 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-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine is sourced from PubChem (CID 62296888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).