5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine

C16H19BrN2O2 — CID 79530705

IUPAC5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine
SMILESCOc1ccc(Oc2ncc(N)cc2Br)c(C(C)(C)C)c1
InChIInChI=1S/C16H19BrN2O2/c1-16(2,3)12-8-11(20-4)5-6-14(12)21-15-13(17)7-10(18)9-19-15/h5-9H,18H2,1-4H3
InChIKeyWUEOEFXXXSTXKL-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.52
Rot. Bonds3

About 5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine

5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine (PubChem CID 79530705) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine
PubChem CID79530705
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine
SMILESCOc1ccc(Oc2ncc(N)cc2Br)c(C(C)(C)C)c1
InChIInChI=1S/C16H19BrN2O2/c1-16(2,3)12-8-11(20-4)5-6-14(12)21-15-13(17)7-10(18)9-19-15/h5-9H,18H2,1-4H3
InChIKeyWUEOEFXXXSTXKL-UHFFFAOYSA-N
XLogP4.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-(4-methoxyphenoxy)pyridin-3-amine
CID 79535113
5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine
CID 79534852
4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine
CID 80867099
4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline
CID 28972699
2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
CID 113413727
6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80866188
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
CID 105367213
2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine
CID 116797637
5-bromo-6-(4-fluorophenoxy)pyridin-3-amine
CID 79534662
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 16786203
5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine
CID 106596710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine (CID 79530705) is 5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine is COc1ccc(Oc2ncc(N)cc2Br)c(C(C)(C)C)c1.
What is the InChIKey of 5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine?
The InChIKey is WUEOEFXXXSTXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-16(2,3)12-8-11(20-4)5-6-14(12)21-15-13(17)7-10(18)9-19-15/h5-9H,18H2,1-4H3.
What are the key properties of 5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine?
5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine has a molecular weight of 351.24 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine is sourced from PubChem (CID 79530705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).