2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol

C15H16N2O — CID 5240881

IUPAC2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
SMILESCC(=NNc1ccccc1)c1cc(C)ccc1O
InChIInChI=1S/C15H16N2O/c1-11-8-9-15(18)14(10-11)12(2)16-17-13-6-4-3-5-7-13/h3-10,17-18H,1-2H3
InChIKeyYVWGWOAZVZHVKQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.54
Rot. Bonds3

About 2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol

2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol (PubChem CID 5240881) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol.

Molecular Properties

Compound Name2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
PubChem CID5240881
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
SMILESCC(=NNc1ccccc1)c1cc(C)ccc1O
InChIInChI=1S/C15H16N2O/c1-11-8-9-15(18)14(10-11)12(2)16-17-13-6-4-3-5-7-13/h3-10,17-18H,1-2H3
InChIKeyYVWGWOAZVZHVKQ-UHFFFAOYSA-N
XLogP3.54
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4-methylphenol
CID 136704879
2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol
CID 136704880
[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid
CID 137152723
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
4-[(2Z)-2-[1-(2,5-dimethylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 9012816
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
2-[(Z)-N-anilino-C-[(11Z)-11-(2-hydroxy-4-methylphenyl)-11-(phenylhydrazinylidene)undecyl]carbonimidoyl]-5-methylphenol
CID 136886923
2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
CID 2768362
2-[(E)-N-(4-carboxyanilino)-C-methylcarbonimidoyl]-4-methylphenolate
CID 135823955
2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol
CID 137308244

Frequently Asked Questions

What is the IUPAC name of 2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol?
The IUPAC name of 2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol (CID 5240881) is 2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol.
What is the SMILES notation for 2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol?
The canonical SMILES for 2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol is CC(=NNc1ccccc1)c1cc(C)ccc1O.
What is the InChIKey of 2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol?
The InChIKey is YVWGWOAZVZHVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-8-9-15(18)14(10-11)12(2)16-17-13-6-4-3-5-7-13/h3-10,17-18H,1-2H3.
What are the key properties of 2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol?
2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol has a molecular weight of 240.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol is sourced from PubChem (CID 5240881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).