(3-methylphenyl) N-(2-aminophenyl)methanimidate

C14H14N2O — CID 123802454

IUPAC(3-methylphenyl) N-(2-aminophenyl)methanimidate
SMILESCc1cccc(O/C=N/c2ccccc2N)c1
InChIInChI=1S/C14H14N2O/c1-11-5-4-6-12(9-11)17-10-16-14-8-3-2-7-13(14)15/h2-10H,15H2,1H3/b16-10+
InChIKeyLRNYPXVCASCEOU-MHWRWJLKSA-N
MW226.28 g/mol
LogP3.32
Rot. Bonds3

About (3-methylphenyl) N-(2-aminophenyl)methanimidate

(3-methylphenyl) N-(2-aminophenyl)methanimidate (PubChem CID 123802454) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (3-methylphenyl) N-(2-aminophenyl)methanimidate.

Molecular Properties

Compound Name(3-methylphenyl) N-(2-aminophenyl)methanimidate
PubChem CID123802454
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(3-methylphenyl) N-(2-aminophenyl)methanimidate
SMILESCc1cccc(O/C=N/c2ccccc2N)c1
InChIInChI=1S/C14H14N2O/c1-11-5-4-6-12(9-11)17-10-16-14-8-3-2-7-13(14)15/h2-10H,15H2,1H3/b16-10+
InChIKeyLRNYPXVCASCEOU-MHWRWJLKSA-N
XLogP3.32
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 (3-methylphenyl) N-(2-aminophenyl)methanimidate?
The IUPAC name of (3-methylphenyl) N-(2-aminophenyl)methanimidate (CID 123802454) is (3-methylphenyl) N-(2-aminophenyl)methanimidate.
What is the SMILES notation for (3-methylphenyl) N-(2-aminophenyl)methanimidate?
The canonical SMILES for (3-methylphenyl) N-(2-aminophenyl)methanimidate is Cc1cccc(O/C=N/c2ccccc2N)c1.
What is the InChIKey of (3-methylphenyl) N-(2-aminophenyl)methanimidate?
The InChIKey is LRNYPXVCASCEOU-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-5-4-6-12(9-11)17-10-16-14-8-3-2-7-13(14)15/h2-10H,15H2,1H3/b16-10+.
What are the key properties of (3-methylphenyl) N-(2-aminophenyl)methanimidate?
(3-methylphenyl) N-(2-aminophenyl)methanimidate has a molecular weight of 226.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) N-(2-aminophenyl)methanimidate is sourced from PubChem (CID 123802454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).