6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine

C16H19BrN2O2 — CID 107722526

IUPAC6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine
SMILESCc1cc(Oc2ccc(N)c(OC(C)C)n2)cc(C)c1Br
InChIInChI=1S/C16H19BrN2O2/c1-9(2)20-16-13(18)5-6-14(19-16)21-12-7-10(3)15(17)11(4)8-12/h5-9H,18H2,1-4H3
InChIKeyKHABPQTUAXBGLQ-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.62
Rot. Bonds4

About 6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine

6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine (PubChem CID 107722526) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine
PubChem CID107722526
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine
SMILESCc1cc(Oc2ccc(N)c(OC(C)C)n2)cc(C)c1Br
InChIInChI=1S/C16H19BrN2O2/c1-9(2)20-16-13(18)5-6-14(19-16)21-12-7-10(3)15(17)11(4)8-12/h5-9H,18H2,1-4H3
InChIKeyKHABPQTUAXBGLQ-UHFFFAOYSA-N
XLogP4.62
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-3-methylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 83133166
6-(4-bromo-3,5-dimethylphenoxy)-2-methoxypyridin-3-amine
CID 107722457
6-(3,5-difluorophenoxy)-2-propan-2-yloxypyridin-3-amine
CID 62784272
6-(2-bromo-4-methoxyphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 104706569
4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile
CID 43262138
6-(3-ethylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 43262374
6-(2-chloro-5-methylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 43262611
6-(4-chloro-3,5-dimethylphenoxy)-2-methoxypyridin-3-amine
CID 43262617
6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine
CID 43262152
[2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine
CID 107725807
6-(2-ethoxyphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 43262018
6-(2,3-difluorophenoxy)-2-propan-2-yloxypyridin-3-amine
CID 63037603

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine (CID 107722526) is 6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for 6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine is Cc1cc(Oc2ccc(N)c(OC(C)C)n2)cc(C)c1Br.
What is the InChIKey of 6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine?
The InChIKey is KHABPQTUAXBGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-9(2)20-16-13(18)5-6-14(19-16)21-12-7-10(3)15(17)11(4)8-12/h5-9H,18H2,1-4H3.
What are the key properties of 6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine?
6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine has a molecular weight of 351.24 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 107722526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).