1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol

C14H14FNO2 — CID 55055688

IUPAC1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol
SMILESNc1ccccc1C(O)COc1cccc(F)c1
InChIInChI=1S/C14H14FNO2/c15-10-4-3-5-11(8-10)18-9-14(17)12-6-1-2-7-13(12)16/h1-8,14,17H,9,16H2
InChIKeyWGZDKOWBOMCHEI-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.52
Rot. Bonds4

About 1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol

1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol (PubChem CID 55055688) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol
PubChem CID55055688
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol
SMILESNc1ccccc1C(O)COc1cccc(F)c1
InChIInChI=1S/C14H14FNO2/c15-10-4-3-5-11(8-10)18-9-14(17)12-6-1-2-7-13(12)16/h1-8,14,17H,9,16H2
InChIKeyWGZDKOWBOMCHEI-UHFFFAOYSA-N
XLogP2.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol (CID 55055688) is 1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol is Nc1ccccc1C(O)COc1cccc(F)c1.
What is the InChIKey of 1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol?
The InChIKey is WGZDKOWBOMCHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-10-4-3-5-11(8-10)18-9-14(17)12-6-1-2-7-13(12)16/h1-8,14,17H,9,16H2.
What are the key properties of 1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol?
1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol has a molecular weight of 247.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(3-fluorophenoxy)ethanol is sourced from PubChem (CID 55055688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).