2-ethoxy-3-methylaniline

C9H13NO — CID 56776545

IUPAC2-ethoxy-3-methylaniline
SMILESCCOc1c(C)cccc1N
InChIInChI=1S/C9H13NO/c1-3-11-9-7(2)5-4-6-8(9)10/h4-6H,3,10H2,1-2H3
InChIKeyWGBOMTKEAQCJGW-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.98
Rot. Bonds2

About 2-ethoxy-3-methylaniline

2-ethoxy-3-methylaniline (PubChem CID 56776545) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-ethoxy-3-methylaniline.

Molecular Properties

Compound Name2-ethoxy-3-methylaniline
PubChem CID56776545
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-ethoxy-3-methylaniline
SMILESCCOc1c(C)cccc1N
InChIInChI=1S/C9H13NO/c1-3-11-9-7(2)5-4-6-8(9)10/h4-6H,3,10H2,1-2H3
InChIKeyWGBOMTKEAQCJGW-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methylaniline?
The IUPAC name of 2-ethoxy-3-methylaniline (CID 56776545) is 2-ethoxy-3-methylaniline.
What is the SMILES notation for 2-ethoxy-3-methylaniline?
The canonical SMILES for 2-ethoxy-3-methylaniline is CCOc1c(C)cccc1N.
What is the InChIKey of 2-ethoxy-3-methylaniline?
The InChIKey is WGBOMTKEAQCJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-11-9-7(2)5-4-6-8(9)10/h4-6H,3,10H2,1-2H3.
What are the key properties of 2-ethoxy-3-methylaniline?
2-ethoxy-3-methylaniline has a molecular weight of 151.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methylaniline is sourced from PubChem (CID 56776545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).