2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine

C14H15BrN2O2 — CID 104706773

IUPAC2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine
SMILESCOc1ccc(OC(CN)c2ccncc2)c(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-11-2-3-13(12(15)8-11)19-14(9-16)10-4-6-17-7-5-10/h2-8,14H,9,16H2,1H3
InChIKeyAPARNCAYGIJSJF-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.93
Rot. Bonds5

About 2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine

2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine (PubChem CID 104706773) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine
PubChem CID104706773
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine
SMILESCOc1ccc(OC(CN)c2ccncc2)c(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-11-2-3-13(12(15)8-11)19-14(9-16)10-4-6-17-7-5-10/h2-8,14H,9,16H2,1H3
InChIKeyAPARNCAYGIJSJF-UHFFFAOYSA-N
XLogP2.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
CID 83232517
2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine
CID 104706806
2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine
CID 104706707
3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride
CID 142659872
3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile
CID 107655832
4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine
CID 104707451
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 113443515
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine
CID 55191488
1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine
CID 104706737
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 104708330

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine (CID 104706773) is 2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine is COc1ccc(OC(CN)c2ccncc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine?
The InChIKey is APARNCAYGIJSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-18-11-2-3-13(12(15)8-11)19-14(9-16)10-4-6-17-7-5-10/h2-8,14H,9,16H2,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine?
2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine has a molecular weight of 323.19 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 104706773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).