[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine

C16H20ClN3O — CID 80508376

IUPAC[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(Oc2cc(Cl)ccc2C)c(CN)c1CC
InChIInChI=1S/C16H20ClN3O/c1-4-12-13(9-18)16(20-19-14(12)5-2)21-15-8-11(17)7-6-10(15)3/h6-8H,4-5,9,18H2,1-3H3
InChIKeyTXLAAVMSBRBMNG-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.81
Rot. Bonds5

About [3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine

[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine (PubChem CID 80508376) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is [3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine
PubChem CID80508376
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(Oc2cc(Cl)ccc2C)c(CN)c1CC
InChIInChI=1S/C16H20ClN3O/c1-4-12-13(9-18)16(20-19-14(12)5-2)21-15-8-11(17)7-6-10(15)3/h6-8H,4-5,9,18H2,1-3H3
InChIKeyTXLAAVMSBRBMNG-UHFFFAOYSA-N
XLogP3.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine
CID 107655134
6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine
CID 80878189
[3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508325
[5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine
CID 80508299
[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61098837
[5,6-diethyl-3-(3-ethylphenoxy)pyridazin-4-yl]methanamine
CID 80508307
[3-(2-bromo-4-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508317
[3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine
CID 81341711
6-(5-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80877370
[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096824
[4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine
CID 105363242
[5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine
CID 80507981

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine (CID 80508376) is [3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine is CCc1nnc(Oc2cc(Cl)ccc2C)c(CN)c1CC.
What is the InChIKey of [3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine?
The InChIKey is TXLAAVMSBRBMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-12-13(9-18)16(20-19-14(12)5-2)21-15-8-11(17)7-6-10(15)3/h6-8H,4-5,9,18H2,1-3H3.
What are the key properties of [3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine?
[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine has a molecular weight of 305.81 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 80508376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).