2-(4-aminophenoxy)-1-ethoxyethanol

C10H15NO3 — CID 54030825

IUPAC2-(4-aminophenoxy)-1-ethoxyethanol
SMILESCCOC(O)COc1ccc(N)cc1
InChIInChI=1S/C10H15NO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,10,12H,2,7,11H2,1H3
InChIKeyLFLXMLAPYFBDPA-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.00
Rot. Bonds5

About 2-(4-aminophenoxy)-1-ethoxyethanol

2-(4-aminophenoxy)-1-ethoxyethanol (PubChem CID 54030825) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-ethoxyethanol.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-ethoxyethanol
PubChem CID54030825
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(4-aminophenoxy)-1-ethoxyethanol
SMILESCCOC(O)COc1ccc(N)cc1
InChIInChI=1S/C10H15NO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,10,12H,2,7,11H2,1H3
InChIKeyLFLXMLAPYFBDPA-UHFFFAOYSA-N
XLogP1.00
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(4-aminophenoxy)-1-ethoxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-ethoxyethanol?
The IUPAC name of 2-(4-aminophenoxy)-1-ethoxyethanol (CID 54030825) is 2-(4-aminophenoxy)-1-ethoxyethanol.
What is the SMILES notation for 2-(4-aminophenoxy)-1-ethoxyethanol?
The canonical SMILES for 2-(4-aminophenoxy)-1-ethoxyethanol is CCOC(O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-1-ethoxyethanol?
The InChIKey is LFLXMLAPYFBDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6,10,12H,2,7,11H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-1-ethoxyethanol?
2-(4-aminophenoxy)-1-ethoxyethanol has a molecular weight of 197.23 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-ethoxyethanol is sourced from PubChem (CID 54030825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).