1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol

C13H22N2O2 — CID 83132254

IUPAC1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol
SMILESCCOCCN(CC)c1ccc(C(C)O)nc1
InChIInChI=1S/C13H22N2O2/c1-4-15(8-9-17-5-2)12-6-7-13(11(3)16)14-10-12/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyLVFWBPLLIKHGMF-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.00
Rot. Bonds7

About 1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol

1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol (PubChem CID 83132254) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol
PubChem CID83132254
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol
SMILESCCOCCN(CC)c1ccc(C(C)O)nc1
InChIInChI=1S/C13H22N2O2/c1-4-15(8-9-17-5-2)12-6-7-13(11(3)16)14-10-12/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyLVFWBPLLIKHGMF-UHFFFAOYSA-N
XLogP2.00
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.00
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 1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol (CID 83132254) is 1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol is CCOCCN(CC)c1ccc(C(C)O)nc1.
What is the InChIKey of 1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol?
The InChIKey is LVFWBPLLIKHGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-15(8-9-17-5-2)12-6-7-13(11(3)16)14-10-12/h6-7,10-11,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol?
1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83132254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).