6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine

C13H13ClN2O — CID 79176554

IUPAC6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
SMILESCc1ccc(Oc2cc(C)c(N)cn2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-8-3-4-12(10(14)5-8)17-13-6-9(2)11(15)7-16-13/h3-7H,15H2,1-2H3
InChIKeyOWZVQOZKMCPXFB-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.73
Rot. Bonds2

About 6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine

6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine (PubChem CID 79176554) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
PubChem CID79176554
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
SMILESCc1ccc(Oc2cc(C)c(N)cn2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-8-3-4-12(10(14)5-8)17-13-6-9(2)11(15)7-16-13/h3-7H,15H2,1-2H3
InChIKeyOWZVQOZKMCPXFB-UHFFFAOYSA-N
XLogP3.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chlorophenoxy)-4-methylpyridin-3-amine
CID 79020774
6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
CID 18419480
6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine
CID 155134588
2-(2-chloro-4-methylphenoxy)pyridin-4-amine
CID 62670410
5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
CID 114870687
2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline
CID 114869421
3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
CID 43173727
6-(2,4-difluorophenoxy)-4-methylpyridin-3-amine
CID 79175877
6-(4-tert-butyl-2-methylphenoxy)-4-methylpyridin-3-amine
CID 79175695
4-methyl-6-(3-methylphenoxy)pyridin-3-amine
CID 79020882
1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928615
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine?
The IUPAC name of 6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine (CID 79176554) is 6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine?
The canonical SMILES for 6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine is Cc1ccc(Oc2cc(C)c(N)cn2)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine?
The InChIKey is OWZVQOZKMCPXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-3-4-12(10(14)5-8)17-13-6-9(2)11(15)7-16-13/h3-7H,15H2,1-2H3.
What are the key properties of 6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine?
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine has a molecular weight of 248.71 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine is sourced from PubChem (CID 79176554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).