4-(4-ethoxyphenoxy)aniline

C14H15NO2 — CID 2433155

IUPAC4-(4-ethoxyphenoxy)aniline
SMILESCCOc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C14H15NO2/c1-2-16-12-7-9-14(10-8-12)17-13-5-3-11(15)4-6-13/h3-10H,2,15H2,1H3
InChIKeyCDPWNMXJIYCVIK-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.46
Rot. Bonds4

About 4-(4-ethoxyphenoxy)aniline

4-(4-ethoxyphenoxy)aniline (PubChem CID 2433155) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)aniline.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)aniline
PubChem CID2433155
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-(4-ethoxyphenoxy)aniline
SMILESCCOc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C14H15NO2/c1-2-16-12-7-9-14(10-8-12)17-13-5-3-11(15)4-6-13/h3-10H,2,15H2,1H3
InChIKeyCDPWNMXJIYCVIK-UHFFFAOYSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-ethoxyphenoxy)aniline 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 4-(4-ethoxyphenoxy)aniline?
The IUPAC name of 4-(4-ethoxyphenoxy)aniline (CID 2433155) is 4-(4-ethoxyphenoxy)aniline.
What is the SMILES notation for 4-(4-ethoxyphenoxy)aniline?
The canonical SMILES for 4-(4-ethoxyphenoxy)aniline is CCOc1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)aniline?
The InChIKey is CDPWNMXJIYCVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-16-12-7-9-14(10-8-12)17-13-5-3-11(15)4-6-13/h3-10H,2,15H2,1H3.
What are the key properties of 4-(4-ethoxyphenoxy)aniline?
4-(4-ethoxyphenoxy)aniline has a molecular weight of 229.28 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)aniline is sourced from PubChem (CID 2433155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).