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

C14H15Cl2N3O — CID 62322260

IUPACN-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C14H15Cl2N3O/c1-9(2)17-8-10-3-6-14(19-18-10)20-11-4-5-12(15)13(16)7-11/h3-7,9,17H,8H2,1-2H3
InChIKeyZOZGMBPYJKBLAV-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.07
Rot. Bonds5

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

N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 62322260) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
PubChem CID62322260
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C14H15Cl2N3O/c1-9(2)17-8-10-3-6-14(19-18-10)20-11-4-5-12(15)13(16)7-11/h3-7,9,17H,8H2,1-2H3
InChIKeyZOZGMBPYJKBLAV-UHFFFAOYSA-N
XLogP4.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-bromo-2,5-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660793
N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62322422
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298102
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
N-methyl-1-[6-(4-propan-2-ylphenoxy)pyridazin-3-yl]methanamine
CID 62297796
N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62295895
N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62296582
N-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine
CID 62291863
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660920
3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine
CID 63877810
N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489176
N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine
CID 62290047

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine (CID 62322260) is N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine is CC(C)NCc1ccc(Oc2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is ZOZGMBPYJKBLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-9(2)17-8-10-3-6-14(19-18-10)20-11-4-5-12(15)13(16)7-11/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine?
N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 312.20 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62322260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).