N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine

C15H17Cl2N3O — CID 62323581

IUPACN-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C15H17Cl2N3O/c1-15(2,3)18-9-11-5-7-14(20-19-11)21-13-6-4-10(16)8-12(13)17/h4-8,18H,9H2,1-3H3
InChIKeyJFMHXOAYBWQWCO-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.46
Rot. Bonds4

About N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine

N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62323581) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62323581
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C15H17Cl2N3O/c1-15(2,3)18-9-11-5-7-14(20-19-11)21-13-6-4-10(16)8-12(13)17/h4-8,18H,9H2,1-3H3
InChIKeyJFMHXOAYBWQWCO-UHFFFAOYSA-N
XLogP4.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 83233037
N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323935
N-[[4-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254059
N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66468621
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058802
[6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine
CID 62297584
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
N-[[6-(4-bromo-2,5-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660793
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 58946113
N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322546
2-methyl-N-[[6-(2-propoxyethoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 63685497
N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 63936367

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine (CID 62323581) is N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Oc2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JFMHXOAYBWQWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-15(2,3)18-9-11-5-7-14(20-19-11)21-13-6-4-10(16)8-12(13)17/h4-8,18H,9H2,1-3H3.
What are the key properties of N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 326.23 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62323581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).