2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol

C13H22N2O2 — CID 55212591

IUPAC2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol
SMILESCCCCN(CCO)c1cccc(OCC)n1
InChIInChI=1S/C13H22N2O2/c1-3-5-9-15(10-11-16)12-7-6-8-13(14-12)17-4-2/h6-8,16H,3-5,9-11H2,1-2H3
InChIKeyMPOYRYIPLVEFBW-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.08
Rot. Bonds8

About 2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol

2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol (PubChem CID 55212591) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol
PubChem CID55212591
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol
SMILESCCCCN(CCO)c1cccc(OCC)n1
InChIInChI=1S/C13H22N2O2/c1-3-5-9-15(10-11-16)12-7-6-8-13(14-12)17-4-2/h6-8,16H,3-5,9-11H2,1-2H3
InChIKeyMPOYRYIPLVEFBW-UHFFFAOYSA-N
XLogP2.08
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol (CID 55212591) is 2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol is CCCCN(CCO)c1cccc(OCC)n1.
What is the InChIKey of 2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol?
The InChIKey is MPOYRYIPLVEFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-5-9-15(10-11-16)12-7-6-8-13(14-12)17-4-2/h6-8,16H,3-5,9-11H2,1-2H3.
What are the key properties of 2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol?
2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(6-ethoxy-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 55212591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).