2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol

C12H20N2O3 — CID 106307052

IUPAC2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
SMILESCCOc1cccnc1NCCCOCCO
InChIInChI=1S/C12H20N2O3/c1-2-17-11-5-3-6-13-12(11)14-7-4-9-16-10-8-15/h3,5-6,15H,2,4,7-10H2,1H3,(H,13,14)
InChIKeyZGERCTRCLOLRDI-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.29
Rot. Bonds9

About 2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol

2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol (PubChem CID 106307052) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
PubChem CID106307052
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
SMILESCCOc1cccnc1NCCCOCCO
InChIInChI=1S/C12H20N2O3/c1-2-17-11-5-3-6-13-12(11)14-7-4-9-16-10-8-15/h3,5-6,15H,2,4,7-10H2,1H3,(H,13,14)
InChIKeyZGERCTRCLOLRDI-UHFFFAOYSA-N
XLogP1.29
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
[2-(3-butoxypropylamino)-3-pyridinyl]methanol
CID 82341843
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol
CID 106308989
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583
3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191598
3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115743
2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891
2-[3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]propoxy]ethanol
CID 114172031

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol?
The IUPAC name of 2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol (CID 106307052) is 2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol is CCOc1cccnc1NCCCOCCO.
What is the InChIKey of 2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol?
The InChIKey is ZGERCTRCLOLRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-17-11-5-3-6-13-12(11)14-7-4-9-16-10-8-15/h3,5-6,15H,2,4,7-10H2,1H3,(H,13,14).
What are the key properties of 2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol?
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol has a molecular weight of 240.30 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol is sourced from PubChem (CID 106307052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).