3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline

C13H13BrN2O — CID 105367219

IUPAC3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline
SMILESCc1cnc(Oc2cccc(N)c2C)c(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-8-6-10(14)13(16-7-8)17-12-5-3-4-11(15)9(12)2/h3-7H,15H2,1-2H3
InChIKeyPOWAGZAJKRJHEV-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.84
Rot. Bonds2

About 3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline

3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline (PubChem CID 105367219) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline.

Molecular Properties

Compound Name3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline
PubChem CID105367219
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline
SMILESCc1cnc(Oc2cccc(N)c2C)c(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-8-6-10(14)13(16-7-8)17-12-5-3-4-11(15)9(12)2/h3-7H,15H2,1-2H3
InChIKeyPOWAGZAJKRJHEV-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

3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine
CID 105368244
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenol
CID 105367477
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
CID 105367213
5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline
CID 103201979
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
3-bromo-2-(4-fluorophenoxy)-5-methylpyridine
CID 105368202
2-[2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107713700
3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 105368353
2-methyl-3-(6-methylpyrimidin-4-yl)oxyaniline
CID 61226507
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
2-methyl-3-phenoxyaniline;hydrochloride
CID 142758143
2-(2-chlorophenoxy)-5-methylpyridin-3-amine
CID 66279781

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline?
The IUPAC name of 3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline (CID 105367219) is 3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline.
What is the SMILES notation for 3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline?
The canonical SMILES for 3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline is Cc1cnc(Oc2cccc(N)c2C)c(Br)c1.
What is the InChIKey of 3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline?
The InChIKey is POWAGZAJKRJHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-8-6-10(14)13(16-7-8)17-12-5-3-4-11(15)9(12)2/h3-7H,15H2,1-2H3.
What are the key properties of 3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline?
3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-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 3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline is sourced from PubChem (CID 105367219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).