2-[2-(2-phenylethylamino)ethoxy]ethanol

C12H19NO2 — CID 17156820

IUPAC2-[2-(2-phenylethylamino)ethoxy]ethanol
SMILESOCCOCCNCCc1ccccc1
InChIInChI=1S/C12H19NO2/c14-9-11-15-10-8-13-7-6-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKeyXSOWLMHIEJKUJO-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.83
Rot. Bonds8

About 2-[2-(2-phenylethylamino)ethoxy]ethanol

2-[2-(2-phenylethylamino)ethoxy]ethanol (PubChem CID 17156820) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(2-phenylethylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-phenylethylamino)ethoxy]ethanol
PubChem CID17156820
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[2-(2-phenylethylamino)ethoxy]ethanol
SMILESOCCOCCNCCc1ccccc1
InChIInChI=1S/C12H19NO2/c14-9-11-15-10-8-13-7-6-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKeyXSOWLMHIEJKUJO-UHFFFAOYSA-N
XLogP0.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-phenylethylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-phenylethylamino)ethoxy]ethanol (CID 17156820) is 2-[2-(2-phenylethylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-phenylethylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-phenylethylamino)ethoxy]ethanol is OCCOCCNCCc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylethylamino)ethoxy]ethanol?
The InChIKey is XSOWLMHIEJKUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-9-11-15-10-8-13-7-6-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2.
What are the key properties of 2-[2-(2-phenylethylamino)ethoxy]ethanol?
2-[2-(2-phenylethylamino)ethoxy]ethanol has a molecular weight of 209.29 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethylamino)ethoxy]ethanol is sourced from PubChem (CID 17156820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).