N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine

C16H21N3O — CID 62296582

IUPACN-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CNC(C)C)nn2)c1C
InChIInChI=1S/C16H21N3O/c1-11(2)17-10-14-8-9-16(19-18-14)20-15-7-5-6-12(3)13(15)4/h5-9,11,17H,10H2,1-4H3
InChIKeyUXXBEOFXNCTAEU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.38
Rot. Bonds5

About N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine

N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 62296582) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
PubChem CID62296582
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CNC(C)C)nn2)c1C
InChIInChI=1S/C16H21N3O/c1-11(2)17-10-14-8-9-16(19-18-14)20-15-7-5-6-12(3)13(15)4/h5-9,11,17H,10H2,1-4H3
InChIKeyUXXBEOFXNCTAEU-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660920
N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62295895
3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine
CID 61268428
N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794
N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80624122
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907961
N-[[6-(4-bromo-2,5-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660793
N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62322260
N-[[6-(2,3-dimethylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637091
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862
N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine
CID 62290047
1-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62295879

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine (CID 62296582) is N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine is Cc1cccc(Oc2ccc(CNC(C)C)nn2)c1C.
What is the InChIKey of N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is UXXBEOFXNCTAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)17-10-14-8-9-16(19-18-14)20-15-7-5-6-12(3)13(15)4/h5-9,11,17H,10H2,1-4H3.
What are the key properties of N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine?
N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62296582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).