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

C10H15BrN2O — CID 114869802

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine
SMILESCCNCCOc1cc(C)c(Br)cn1
InChIInChI=1S/C10H15BrN2O/c1-3-12-4-5-14-10-6-8(2)9(11)7-13-10/h6-7,12H,3-5H2,1-2H3
InChIKeyJPNQMAUWTYJZMH-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.14
Rot. Bonds5

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

2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine (PubChem CID 114869802) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine
PubChem CID114869802
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine
SMILESCCNCCOc1cc(C)c(Br)cn1
InChIInChI=1S/C10H15BrN2O/c1-3-12-4-5-14-10-6-8(2)9(11)7-13-10/h6-7,12H,3-5H2,1-2H3
InChIKeyJPNQMAUWTYJZMH-UHFFFAOYSA-N
XLogP2.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine (CID 114869802) is 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine is CCNCCOc1cc(C)c(Br)cn1.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine?
The InChIKey is JPNQMAUWTYJZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-3-12-4-5-14-10-6-8(2)9(11)7-13-10/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine?
2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine has a molecular weight of 259.15 g/mol, XLogP of 2.14, 5 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]-N-ethylethanamine is sourced from PubChem (CID 114869802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).