6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine

C15H17BrN2O2 — CID 115401558

IUPAC6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine
SMILESCOc1nc(Oc2ccc(Br)cc2C(C)C)ccc1N
InChIInChI=1S/C15H17BrN2O2/c1-9(2)11-8-10(16)4-6-13(11)20-14-7-5-12(17)15(18-14)19-3/h4-9H,17H2,1-3H3
InChIKeyCRKAKCRHZJTUBH-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.35
Rot. Bonds4

About 6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine

6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine (PubChem CID 115401558) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine
PubChem CID115401558
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine
SMILESCOc1nc(Oc2ccc(Br)cc2C(C)C)ccc1N
InChIInChI=1S/C15H17BrN2O2/c1-9(2)11-8-10(16)4-6-13(11)20-14-7-5-12(17)15(18-14)19-3/h4-9H,17H2,1-3H3
InChIKeyCRKAKCRHZJTUBH-UHFFFAOYSA-N
XLogP4.35
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
CID 113303074
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 113303072
[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
CID 115402686
6-(2-bromo-4-methoxyphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 104706569
2-(4-bromo-2-propan-2-ylphenoxy)-4,5-dichloroaniline
CID 115401583
3-(4-bromo-2-propan-2-ylphenoxy)-6-(chloromethyl)pyridazine
CID 113303012
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
6-(4-bromo-3,5-dimethylphenoxy)-2-methoxypyridin-3-amine
CID 107722457
5-bromo-4-(4-bromo-2-propan-2-ylphenoxy)pyridin-3-amine
CID 103518830
2-methoxy-6-(3-propan-2-ylphenoxy)pyridin-3-amine
CID 43262016
(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
CID 167738069

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine?
The IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine (CID 115401558) is 6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine.
What is the SMILES notation for 6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine?
The canonical SMILES for 6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine is COc1nc(Oc2ccc(Br)cc2C(C)C)ccc1N.
What is the InChIKey of 6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine?
The InChIKey is CRKAKCRHZJTUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9(2)11-8-10(16)4-6-13(11)20-14-7-5-12(17)15(18-14)19-3/h4-9H,17H2,1-3H3.
What are the key properties of 6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine?
6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine has a molecular weight of 337.22 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine is sourced from PubChem (CID 115401558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).