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

C13H13ClN2O — CID 18419480

IUPAC6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
SMILESCc1cc(Oc2ccc(Cl)cc2C)ncc1N
InChIInChI=1S/C13H13ClN2O/c1-8-6-13(16-7-11(8)15)17-12-4-3-10(14)5-9(12)2/h3-7H,15H2,1-2H3
InChIKeyPWRWISWXXIPLGG-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.73
Rot. Bonds2

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

6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine (PubChem CID 18419480) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
PubChem CID18419480
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
SMILESCc1cc(Oc2ccc(Cl)cc2C)ncc1N
InChIInChI=1S/C13H13ClN2O/c1-8-6-13(16-7-11(8)15)17-12-4-3-10(14)5-9(12)2/h3-7H,15H2,1-2H3
InChIKeyPWRWISWXXIPLGG-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

5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide
CID 114090632
5-(4-chloro-2-methylphenoxy)pyrazin-2-amine
CID 80663336
6-(4-tert-butyl-2-methylphenoxy)-4-methylpyridin-3-amine
CID 79175695
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
6-(2-chlorophenoxy)-4-methylpyridin-3-amine
CID 79020774
6-(2,4-difluorophenoxy)-4-methylpyridin-3-amine
CID 79175877
6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine
CID 155134588
2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline
CID 114869421
1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80639510
3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
CID 114837551
4-bromo-2-(4-chloro-2-methylphenoxy)aniline
CID 65342319
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine?
The IUPAC name of 6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine (CID 18419480) is 6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine?
The canonical SMILES for 6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine is Cc1cc(Oc2ccc(Cl)cc2C)ncc1N.
What is the InChIKey of 6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine?
The InChIKey is PWRWISWXXIPLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-6-13(16-7-11(8)15)17-12-4-3-10(14)5-9(12)2/h3-7H,15H2,1-2H3.
What are the key properties of 6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine?
6-(4-chloro-2-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-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine is sourced from PubChem (CID 18419480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).