5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine

C16H19BrN2O — CID 104507226

IUPAC5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
SMILESCc1ccc(C(C)C)c(Oc2ncc(N)c(C)c2Br)c1
InChIInChI=1S/C16H19BrN2O/c1-9(2)12-6-5-10(3)7-14(12)20-16-15(17)11(4)13(18)8-19-16/h5-9H,18H2,1-4H3
InChIKeyVNBGNQNSULVMJQ-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.96
Rot. Bonds3

About 5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine

5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine (PubChem CID 104507226) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
PubChem CID104507226
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
SMILESCc1ccc(C(C)C)c(Oc2ncc(N)c(C)c2Br)c1
InChIInChI=1S/C16H19BrN2O/c1-9(2)12-6-5-10(3)7-14(12)20-16-15(17)11(4)13(18)8-19-16/h5-9H,18H2,1-4H3
InChIKeyVNBGNQNSULVMJQ-UHFFFAOYSA-N
XLogP4.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
6-methyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 79021239
2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80864721
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
CID 104507356
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
[5-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80915965
5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
CID 104507301
5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104507209
5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
CID 103174438
5-bromo-4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
CID 104507370
6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80864015
[6-methyl-4-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250497

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine (CID 104507226) is 5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine is Cc1ccc(C(C)C)c(Oc2ncc(N)c(C)c2Br)c1.
What is the InChIKey of 5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine?
The InChIKey is VNBGNQNSULVMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-9(2)12-6-5-10(3)7-14(12)20-16-15(17)11(4)13(18)8-19-16/h5-9H,18H2,1-4H3.
What are the key properties of 5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine?
5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine has a molecular weight of 335.25 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine is sourced from PubChem (CID 104507226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).