2-ethoxy-3-(N-ethylanilino)propanal

C13H19NO2 — CID 57048685

IUPAC2-ethoxy-3-(N-ethylanilino)propanal
SMILESCCOC(C=O)CN(CC)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14(10-13(11-15)16-4-2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3
InChIKeyNLPUJSDDWQIWIR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds7

About 2-ethoxy-3-(N-ethylanilino)propanal

2-ethoxy-3-(N-ethylanilino)propanal (PubChem CID 57048685) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethoxy-3-(N-ethylanilino)propanal.

Molecular Properties

Compound Name2-ethoxy-3-(N-ethylanilino)propanal
PubChem CID57048685
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-ethoxy-3-(N-ethylanilino)propanal
SMILESCCOC(C=O)CN(CC)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14(10-13(11-15)16-4-2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3
InChIKeyNLPUJSDDWQIWIR-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-3-(N-ethylanilino)propanal 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-ethoxy-3-(N-ethylanilino)propanal?
The IUPAC name of 2-ethoxy-3-(N-ethylanilino)propanal (CID 57048685) is 2-ethoxy-3-(N-ethylanilino)propanal.
What is the SMILES notation for 2-ethoxy-3-(N-ethylanilino)propanal?
The canonical SMILES for 2-ethoxy-3-(N-ethylanilino)propanal is CCOC(C=O)CN(CC)c1ccccc1.
What is the InChIKey of 2-ethoxy-3-(N-ethylanilino)propanal?
The InChIKey is NLPUJSDDWQIWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14(10-13(11-15)16-4-2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3.
What are the key properties of 2-ethoxy-3-(N-ethylanilino)propanal?
2-ethoxy-3-(N-ethylanilino)propanal has a molecular weight of 221.30 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(N-ethylanilino)propanal is sourced from PubChem (CID 57048685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).