4-ethyl-2-methanimidoyl-6-methoxyaniline

C10H14N2O — CID 169265062

IUPAC4-ethyl-2-methanimidoyl-6-methoxyaniline
SMILES[H]/N=C/c1cc(CC)cc(OC)c1N
InChIInChI=1S/C10H14N2O/c1-3-7-4-8(6-11)10(12)9(5-7)13-2/h4-6,11H,3,12H2,1-2H3/b11-6+
InChIKeyQBEAOSLOEUIQFE-IZZDOVSWSA-N
MW178.23 g/mol
LogP1.84
Rot. Bonds3

About 4-ethyl-2-methanimidoyl-6-methoxyaniline

4-ethyl-2-methanimidoyl-6-methoxyaniline (PubChem CID 169265062) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-ethyl-2-methanimidoyl-6-methoxyaniline.

Molecular Properties

Compound Name4-ethyl-2-methanimidoyl-6-methoxyaniline
PubChem CID169265062
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-ethyl-2-methanimidoyl-6-methoxyaniline
SMILES[H]/N=C/c1cc(CC)cc(OC)c1N
InChIInChI=1S/C10H14N2O/c1-3-7-4-8(6-11)10(12)9(5-7)13-2/h4-6,11H,3,12H2,1-2H3/b11-6+
InChIKeyQBEAOSLOEUIQFE-IZZDOVSWSA-N
XLogP1.84
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methanimidoyl-6-methoxyaniline?
The IUPAC name of 4-ethyl-2-methanimidoyl-6-methoxyaniline (CID 169265062) is 4-ethyl-2-methanimidoyl-6-methoxyaniline.
What is the SMILES notation for 4-ethyl-2-methanimidoyl-6-methoxyaniline?
The canonical SMILES for 4-ethyl-2-methanimidoyl-6-methoxyaniline is [H]/N=C/c1cc(CC)cc(OC)c1N.
What is the InChIKey of 4-ethyl-2-methanimidoyl-6-methoxyaniline?
The InChIKey is QBEAOSLOEUIQFE-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-7-4-8(6-11)10(12)9(5-7)13-2/h4-6,11H,3,12H2,1-2H3/b11-6+.
What are the key properties of 4-ethyl-2-methanimidoyl-6-methoxyaniline?
4-ethyl-2-methanimidoyl-6-methoxyaniline has a molecular weight of 178.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methanimidoyl-6-methoxyaniline is sourced from PubChem (CID 169265062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).