4-ethoxy-N-ethylaniline

C10H15NO — CID 586036

IUPAC4-ethoxy-N-ethylaniline
SMILESCCNc1ccc(OCC)cc1
InChIInChI=1S/C10H15NO/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8,11H,3-4H2,1-2H3
InChIKeyLCIDBIBUGVRZAC-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.52
Rot. Bonds4

About 4-ethoxy-N-ethylaniline

4-ethoxy-N-ethylaniline (PubChem CID 586036) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-ethoxy-N-ethylaniline.

Molecular Properties

Compound Name4-ethoxy-N-ethylaniline
PubChem CID586036
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-ethoxy-N-ethylaniline
SMILESCCNc1ccc(OCC)cc1
InChIInChI=1S/C10H15NO/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8,11H,3-4H2,1-2H3
InChIKeyLCIDBIBUGVRZAC-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethylaniline?
The IUPAC name of 4-ethoxy-N-ethylaniline (CID 586036) is 4-ethoxy-N-ethylaniline.
What is the SMILES notation for 4-ethoxy-N-ethylaniline?
The canonical SMILES for 4-ethoxy-N-ethylaniline is CCNc1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-N-ethylaniline?
The InChIKey is LCIDBIBUGVRZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethylaniline?
4-ethoxy-N-ethylaniline has a molecular weight of 165.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethylaniline is sourced from PubChem (CID 586036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).