2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol

C12H20N2O2 — CID 106310050

IUPAC2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol
SMILESOCCOCCCNCCc1ccccn1
InChIInChI=1S/C12H20N2O2/c15-9-11-16-10-3-6-13-8-5-12-4-1-2-7-14-12/h1-2,4,7,13,15H,3,5-6,8-11H2
InChIKeyVUIRNBZSVXZBBJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.61
Rot. Bonds9

About 2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol

2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol (PubChem CID 106310050) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol
PubChem CID106310050
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol
SMILESOCCOCCCNCCc1ccccn1
InChIInChI=1S/C12H20N2O2/c15-9-11-16-10-3-6-13-8-5-12-4-1-2-7-14-12/h1-2,4,7,13,15H,3,5-6,8-11H2
InChIKeyVUIRNBZSVXZBBJ-UHFFFAOYSA-N
XLogP0.61
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
CID 134462825
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
N-benzyl-6-[2-(2-pyridin-2-ylethoxy)ethoxy]hexan-1-amine
CID 23045269
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine
CID 71328789
2-[2-(1-pyridin-2-ylpropan-2-ylamino)ethoxy]ethanol
CID 137425890
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194663
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
CID 106146853
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
CID 106309635

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol?
The IUPAC name of 2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol (CID 106310050) is 2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol.
What is the SMILES notation for 2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol?
The canonical SMILES for 2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol is OCCOCCCNCCc1ccccn1.
What is the InChIKey of 2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol?
The InChIKey is VUIRNBZSVXZBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-9-11-16-10-3-6-13-8-5-12-4-1-2-7-14-12/h1-2,4,7,13,15H,3,5-6,8-11H2.
What are the key properties of 2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol?
2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol has a molecular weight of 224.30 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol is sourced from PubChem (CID 106310050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).