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

C16H19BrN2O — CID 79534852

IUPAC5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine
SMILESCc1cc(C(C)(C)C)ccc1Oc1ncc(N)cc1Br
InChIInChI=1S/C16H19BrN2O/c1-10-7-11(16(2,3)4)5-6-14(10)20-15-13(17)8-12(18)9-19-15/h5-9H,18H2,1-4H3
InChIKeyJHUIZEVRMDPDCG-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.82
Rot. Bonds2

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

5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine (PubChem CID 79534852) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine
PubChem CID79534852
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine
SMILESCc1cc(C(C)(C)C)ccc1Oc1ncc(N)cc1Br
InChIInChI=1S/C16H19BrN2O/c1-10-7-11(16(2,3)4)5-6-14(10)20-15-13(17)8-12(18)9-19-15/h5-9H,18H2,1-4H3
InChIKeyJHUIZEVRMDPDCG-UHFFFAOYSA-N
XLogP4.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine
CID 114837638
2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine
CID 61146941
5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine
CID 79530705
6-(4-tert-butyl-2-methylphenoxy)-4-methylpyridin-3-amine
CID 79175695
5-bromo-6-(4-methoxyphenoxy)pyridin-3-amine
CID 79535113
3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
CID 114837551
6-(2-bromophenoxy)-5-methylpyridin-3-amine
CID 62476241
2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727810
6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80874854
5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine
CID 106596710
5-bromo-6-(4-fluorophenoxy)pyridin-3-amine
CID 79534662
5-(bromomethyl)-2-(4-tert-butyl-2-methylphenoxy)pyrimidine
CID 107087606

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine (CID 79534852) is 5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine is Cc1cc(C(C)(C)C)ccc1Oc1ncc(N)cc1Br.
What is the InChIKey of 5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine?
The InChIKey is JHUIZEVRMDPDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10-7-11(16(2,3)4)5-6-14(10)20-15-13(17)8-12(18)9-19-15/h5-9H,18H2,1-4H3.
What are the key properties of 5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine?
5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine has a molecular weight of 335.25 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine is sourced from PubChem (CID 79534852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).