methyl N-(2-ethyl-6-methylphenyl)methanimidate

C11H15NO — CID 15176777

IUPACmethyl N-(2-ethyl-6-methylphenyl)methanimidate
SMILESCCc1cccc(C)c1/N=C/OC
InChIInChI=1S/C11H15NO/c1-4-10-7-5-6-9(2)11(10)12-8-13-3/h5-8H,4H2,1-3H3/b12-8+
InChIKeyZWMZXAPPRPOKAD-XYOKQWHBSA-N
MW177.25 g/mol
LogP2.86
Rot. Bonds3

About methyl N-(2-ethyl-6-methylphenyl)methanimidate

methyl N-(2-ethyl-6-methylphenyl)methanimidate (PubChem CID 15176777) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is methyl N-(2-ethyl-6-methylphenyl)methanimidate.

Molecular Properties

Compound Namemethyl N-(2-ethyl-6-methylphenyl)methanimidate
PubChem CID15176777
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namemethyl N-(2-ethyl-6-methylphenyl)methanimidate
SMILESCCc1cccc(C)c1/N=C/OC
InChIInChI=1S/C11H15NO/c1-4-10-7-5-6-9(2)11(10)12-8-13-3/h5-8H,4H2,1-3H3/b12-8+
InChIKeyZWMZXAPPRPOKAD-XYOKQWHBSA-N
XLogP2.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-ethyl-6-methylphenyl)methanimidate?
The IUPAC name of methyl N-(2-ethyl-6-methylphenyl)methanimidate (CID 15176777) is methyl N-(2-ethyl-6-methylphenyl)methanimidate.
What is the SMILES notation for methyl N-(2-ethyl-6-methylphenyl)methanimidate?
The canonical SMILES for methyl N-(2-ethyl-6-methylphenyl)methanimidate is CCc1cccc(C)c1/N=C/OC.
What is the InChIKey of methyl N-(2-ethyl-6-methylphenyl)methanimidate?
The InChIKey is ZWMZXAPPRPOKAD-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-10-7-5-6-9(2)11(10)12-8-13-3/h5-8H,4H2,1-3H3/b12-8+.
What are the key properties of methyl N-(2-ethyl-6-methylphenyl)methanimidate?
methyl N-(2-ethyl-6-methylphenyl)methanimidate has a molecular weight of 177.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-ethyl-6-methylphenyl)methanimidate is sourced from PubChem (CID 15176777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).