2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine

C15H17BrN2O2 — CID 104708631

IUPAC2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
SMILESCOc1ccc(Oc2ncc(CCN)cc2C)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-10-7-11(5-6-17)9-18-15(10)20-14-4-3-12(19-2)8-13(14)16/h3-4,7-9H,5-6,17H2,1-2H3
InChIKeyRPTRNIGTHGCWGH-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.45
Rot. Bonds5

About 2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine

2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine (PubChem CID 104708631) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
PubChem CID104708631
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
SMILESCOc1ccc(Oc2ncc(CCN)cc2C)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-10-7-11(5-6-17)9-18-15(10)20-14-4-3-12(19-2)8-13(14)16/h3-4,7-9H,5-6,17H2,1-2H3
InChIKeyRPTRNIGTHGCWGH-UHFFFAOYSA-N
XLogP3.45
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine
CID 104708629
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
2-[6-(2,4-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640333
2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 107727015
2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639815
2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639335
[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629216
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988
2-(5,6-dimethoxy-3-pyridinyl)ethanamine
CID 66847650
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
[6-(4-bromo-3-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628936

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine (CID 104708631) is 2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine is COc1ccc(Oc2ncc(CCN)cc2C)c(Br)c1.
What is the InChIKey of 2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine?
The InChIKey is RPTRNIGTHGCWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-7-11(5-6-17)9-18-15(10)20-14-4-3-12(19-2)8-13(14)16/h3-4,7-9H,5-6,17H2,1-2H3.
What are the key properties of 2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine?
2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine has a molecular weight of 337.22 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 104708631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).