2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline

C13H13BrN2O — CID 114869421

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline
SMILESCc1ccc(Oc2cc(C)c(Br)cn2)c(N)c1
InChIInChI=1S/C13H13BrN2O/c1-8-3-4-12(11(15)5-8)17-13-6-9(2)10(14)7-16-13/h3-7H,15H2,1-2H3
InChIKeyPXUPDKGKSCKQJF-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.84
Rot. Bonds2

About 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline

2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline (PubChem CID 114869421) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline
PubChem CID114869421
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline
SMILESCc1ccc(Oc2cc(C)c(Br)cn2)c(N)c1
InChIInChI=1S/C13H13BrN2O/c1-8-3-4-12(11(15)5-8)17-13-6-9(2)10(14)7-16-13/h3-7H,15H2,1-2H3
InChIKeyPXUPDKGKSCKQJF-UHFFFAOYSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
CID 114870687
4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
CID 103011810
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
5-bromo-4-methyl-2-(4-methylphenoxy)pyridine
CID 114870650
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
5-bromo-2-(2,4-difluorophenoxy)-4-methylpyridine
CID 114870597
2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline
CID 66342175
2-[(5-methoxy-2-pyridinyl)oxy]-5-methylaniline
CID 106504321
5-methyl-2-pyrazin-2-yloxyaniline
CID 61311465
5-bromo-2-(2-methoxyphenoxy)-4-methylpyridine
CID 114870629
6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
CID 18419480
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline (CID 114869421) is 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline is Cc1ccc(Oc2cc(C)c(Br)cn2)c(N)c1.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline?
The InChIKey is PXUPDKGKSCKQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-8-3-4-12(11(15)5-8)17-13-6-9(2)10(14)7-16-13/h3-7H,15H2,1-2H3.
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline?
2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline has a molecular weight of 293.16 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline is sourced from PubChem (CID 114869421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).