2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine

C8H11BrN2O — CID 114869805

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine
SMILESCc1cc(OCCN)ncc1Br
InChIInChI=1S/C8H11BrN2O/c1-6-4-8(12-3-2-10)11-5-7(6)9/h4-5H,2-3,10H2,1H3
InChIKeyPKKYZTCSOJSMFP-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.49
Rot. Bonds3

About 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine

2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine (PubChem CID 114869805) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine
PubChem CID114869805
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine
SMILESCc1cc(OCCN)ncc1Br
InChIInChI=1S/C8H11BrN2O/c1-6-4-8(12-3-2-10)11-5-7(6)9/h4-5H,2-3,10H2,1H3
InChIKeyPKKYZTCSOJSMFP-UHFFFAOYSA-N
XLogP1.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine (CID 114869805) is 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine is Cc1cc(OCCN)ncc1Br.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine?
The InChIKey is PKKYZTCSOJSMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-6-4-8(12-3-2-10)11-5-7(6)9/h4-5H,2-3,10H2,1H3.
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine?
2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine has a molecular weight of 231.09 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine is sourced from PubChem (CID 114869805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).