2-ethyl-6-methoxyaniline

C9H13NO — CID 10080569

IUPAC2-ethyl-6-methoxyaniline
SMILESCCc1cccc(OC)c1N
InChIInChI=1S/C9H13NO/c1-3-7-5-4-6-8(11-2)9(7)10/h4-6H,3,10H2,1-2H3
InChIKeyUWFPKMKMBZCSSP-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.84
Rot. Bonds2

About 2-ethyl-6-methoxyaniline

2-ethyl-6-methoxyaniline (PubChem CID 10080569) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-ethyl-6-methoxyaniline.

Molecular Properties

Compound Name2-ethyl-6-methoxyaniline
PubChem CID10080569
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-ethyl-6-methoxyaniline
SMILESCCc1cccc(OC)c1N
InChIInChI=1S/C9H13NO/c1-3-7-5-4-6-8(11-2)9(7)10/h4-6H,3,10H2,1-2H3
InChIKeyUWFPKMKMBZCSSP-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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-ethyl-6-methoxyaniline?
The IUPAC name of 2-ethyl-6-methoxyaniline (CID 10080569) is 2-ethyl-6-methoxyaniline.
What is the SMILES notation for 2-ethyl-6-methoxyaniline?
The canonical SMILES for 2-ethyl-6-methoxyaniline is CCc1cccc(OC)c1N.
What is the InChIKey of 2-ethyl-6-methoxyaniline?
The InChIKey is UWFPKMKMBZCSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7-5-4-6-8(11-2)9(7)10/h4-6H,3,10H2,1-2H3.
What are the key properties of 2-ethyl-6-methoxyaniline?
2-ethyl-6-methoxyaniline has a molecular weight of 151.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxyaniline is sourced from PubChem (CID 10080569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).