2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol

C12H19BrN2O2 — CID 114263320

IUPAC2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol
SMILESCCN(CCOCCO)c1ccc(Br)c(C)n1
InChIInChI=1S/C12H19BrN2O2/c1-3-15(6-8-17-9-7-16)12-5-4-11(13)10(2)14-12/h4-5,16H,3,6-9H2,1-2H3
InChIKeyQNOCAUZXBRYUIU-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.99
Rot. Bonds7

About 2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol

2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol (PubChem CID 114263320) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol
PubChem CID114263320
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol
SMILESCCN(CCOCCO)c1ccc(Br)c(C)n1
InChIInChI=1S/C12H19BrN2O2/c1-3-15(6-8-17-9-7-16)12-5-4-11(13)10(2)14-12/h4-5,16H,3,6-9H2,1-2H3
InChIKeyQNOCAUZXBRYUIU-UHFFFAOYSA-N
XLogP1.99
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol (CID 114263320) is 2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol is CCN(CCOCCO)c1ccc(Br)c(C)n1.
What is the InChIKey of 2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol?
The InChIKey is QNOCAUZXBRYUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-3-15(6-8-17-9-7-16)12-5-4-11(13)10(2)14-12/h4-5,16H,3,6-9H2,1-2H3.
What are the key properties of 2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol?
2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol has a molecular weight of 303.20 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol is sourced from PubChem (CID 114263320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).