2-(3-aminophenoxy)ethanol

C8H11NO2 — CID 3944845

IUPAC2-(3-aminophenoxy)ethanol
SMILESNc1cccc(OCCO)c1
InChIInChI=1S/C8H11NO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5,9H2
InChIKeyPRMZVGDZZPRZIF-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.64
Rot. Bonds3

About 2-(3-aminophenoxy)ethanol

2-(3-aminophenoxy)ethanol (PubChem CID 3944845) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(3-aminophenoxy)ethanol.

Molecular Properties

Compound Name2-(3-aminophenoxy)ethanol
PubChem CID3944845
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(3-aminophenoxy)ethanol
SMILESNc1cccc(OCCO)c1
InChIInChI=1S/C8H11NO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5,9H2
InChIKeyPRMZVGDZZPRZIF-UHFFFAOYSA-N
XLogP0.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.64
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 2-(3-aminophenoxy)ethanol?
The IUPAC name of 2-(3-aminophenoxy)ethanol (CID 3944845) is 2-(3-aminophenoxy)ethanol.
What is the SMILES notation for 2-(3-aminophenoxy)ethanol?
The canonical SMILES for 2-(3-aminophenoxy)ethanol is Nc1cccc(OCCO)c1.
What is the InChIKey of 2-(3-aminophenoxy)ethanol?
The InChIKey is PRMZVGDZZPRZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5,9H2.
What are the key properties of 2-(3-aminophenoxy)ethanol?
2-(3-aminophenoxy)ethanol has a molecular weight of 153.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)ethanol is sourced from PubChem (CID 3944845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).