2-ethoxy-N-propylaniline

C11H17NO — CID 20975247

IUPAC2-ethoxy-N-propylaniline
SMILESCCCNc1ccccc1OCC
InChIInChI=1S/C11H17NO/c1-3-9-12-10-7-5-6-8-11(10)13-4-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyBWWYHJBKZRGSLM-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.91
Rot. Bonds5

About 2-ethoxy-N-propylaniline

2-ethoxy-N-propylaniline (PubChem CID 20975247) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-ethoxy-N-propylaniline.

Molecular Properties

Compound Name2-ethoxy-N-propylaniline
PubChem CID20975247
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-ethoxy-N-propylaniline
SMILESCCCNc1ccccc1OCC
InChIInChI=1S/C11H17NO/c1-3-9-12-10-7-5-6-8-11(10)13-4-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyBWWYHJBKZRGSLM-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-propylaniline?
The IUPAC name of 2-ethoxy-N-propylaniline (CID 20975247) is 2-ethoxy-N-propylaniline.
What is the SMILES notation for 2-ethoxy-N-propylaniline?
The canonical SMILES for 2-ethoxy-N-propylaniline is CCCNc1ccccc1OCC.
What is the InChIKey of 2-ethoxy-N-propylaniline?
The InChIKey is BWWYHJBKZRGSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-12-10-7-5-6-8-11(10)13-4-2/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 2-ethoxy-N-propylaniline?
2-ethoxy-N-propylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-propylaniline is sourced from PubChem (CID 20975247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).