N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine

C15H19N3O — CID 62297796

IUPACN-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine
SMILESCNCc1ccc(Oc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C15H19N3O/c1-11(2)12-4-7-14(8-5-12)19-15-9-6-13(10-16-3)17-18-15/h4-9,11,16H,10H2,1-3H3
InChIKeyOIOUEHZPQJTEQT-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.11
Rot. Bonds5

About N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine

N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine (PubChem CID 62297796) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine
PubChem CID62297796
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine
SMILESCNCc1ccc(Oc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C15H19N3O/c1-11(2)12-4-7-14(8-5-12)19-15-9-6-13(10-16-3)17-18-15/h4-9,11,16H,10H2,1-3H3
InChIKeyOIOUEHZPQJTEQT-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine (CID 62297796) is N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine is CNCc1ccc(Oc2ccc(C(C)C)cc2)nn1.
What is the InChIKey of N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine?
The InChIKey is OIOUEHZPQJTEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)12-4-7-14(8-5-12)19-15-9-6-13(10-16-3)17-18-15/h4-9,11,16H,10H2,1-3H3.
What are the key properties of N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine?
N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine is sourced from PubChem (CID 62297796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).