6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine

C16H19BrN2O2 — CID 104708310

IUPAC6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine
SMILESCOc1ccc(Oc2cccc(NC(C)(C)C)n2)c(Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-16(2,3)19-14-6-5-7-15(18-14)21-13-9-8-11(20-4)10-12(13)17/h5-10H,1-4H3,(H,18,19)
InChIKeyMQVGQRFZYMHVGD-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.86
Rot. Bonds4

About 6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine

6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine (PubChem CID 104708310) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine.

Molecular Properties

Compound Name6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine
PubChem CID104708310
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine
SMILESCOc1ccc(Oc2cccc(NC(C)(C)C)n2)c(Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-16(2,3)19-14-6-5-7-15(18-14)21-13-9-8-11(20-4)10-12(13)17/h5-10H,1-4H3,(H,18,19)
InChIKeyMQVGQRFZYMHVGD-UHFFFAOYSA-N
XLogP4.86
TPSA43.38 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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine
CID 83134194
[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 113443515
6-(2-bromo-4-methoxyphenoxy)pyridine-2-carbothioamide
CID 104707183
N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine
CID 115498798
N-tert-butyl-6-(2-chloro-4-fluorophenoxy)pyridin-2-amine
CID 115498675
N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine
CID 115498695
N-tert-butyl-6-(3-fluoro-4-methylphenoxy)pyridin-2-amine
CID 107170638
[6-(2-tert-butyl-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 62298299
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 104707588
6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 104708809
2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid
CID 104706888
6-(2-bromo-4-methoxyphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 104706569

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine?
The IUPAC name of 6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine (CID 104708310) is 6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine.
What is the SMILES notation for 6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine?
The canonical SMILES for 6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine is COc1ccc(Oc2cccc(NC(C)(C)C)n2)c(Br)c1.
What is the InChIKey of 6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine?
The InChIKey is MQVGQRFZYMHVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-16(2,3)19-14-6-5-7-15(18-14)21-13-9-8-11(20-4)10-12(13)17/h5-10H,1-4H3,(H,18,19).
What are the key properties of 6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine?
6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine has a molecular weight of 351.24 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine is sourced from PubChem (CID 104708310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).