N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine

C17H23N3O — CID 62296786

IUPACN-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(Oc2ccc(CNCC(C)C)nn2)c1
InChIInChI=1S/C17H23N3O/c1-12(2)10-18-11-15-7-8-17(20-19-15)21-16-9-13(3)5-6-14(16)4/h5-9,12,18H,10-11H2,1-4H3
InChIKeyIFKOTICACYRWPV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.63
Rot. Bonds6

About N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine

N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62296786) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62296786
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(Oc2ccc(CNCC(C)C)nn2)c1
InChIInChI=1S/C17H23N3O/c1-12(2)10-18-11-15-7-8-17(20-19-15)21-16-9-13(3)5-6-14(16)4/h5-9,12,18H,10-11H2,1-4H3
InChIKeyIFKOTICACYRWPV-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2,4-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 62297972
N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62295739
N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine
CID 64856226
2-methyl-N-[[6-(4-methylpentan-2-yloxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62290113
3-chloro-6-(2,5-dimethylphenoxy)pyridazine
CID 60675027
2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 116803056
N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine
CID 76938479
N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 104566336
N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296086
N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297563
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine (CID 62296786) is N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine is Cc1ccc(C)c(Oc2ccc(CNCC(C)C)nn2)c1.
What is the InChIKey of N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IFKOTICACYRWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)10-18-11-15-7-8-17(20-19-15)21-16-9-13(3)5-6-14(16)4/h5-9,12,18H,10-11H2,1-4H3.
What are the key properties of N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62296786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).