N'-[(4-methylphenyl)methoxy]benzenecarboximidamide

C15H16N2O — CID 47096549

IUPACN'-[(4-methylphenyl)methoxy]benzenecarboximidamide
SMILESCc1ccc(CON=C(N)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O/c1-12-7-9-13(10-8-12)11-18-17-15(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,16,17)
InChIKeyJMHHGFQJSHSYDP-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.83
Rot. Bonds4

About N'-[(4-methylphenyl)methoxy]benzenecarboximidamide

N'-[(4-methylphenyl)methoxy]benzenecarboximidamide (PubChem CID 47096549) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methoxy]benzenecarboximidamide
PubChem CID47096549
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN'-[(4-methylphenyl)methoxy]benzenecarboximidamide
SMILESCc1ccc(CON=C(N)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O/c1-12-7-9-13(10-8-12)11-18-17-15(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,16,17)
InChIKeyJMHHGFQJSHSYDP-UHFFFAOYSA-N
XLogP2.83
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of N'-[(4-methylphenyl)methoxy]benzenecarboximidamide (CID 47096549) is N'-[(4-methylphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for N'-[(4-methylphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for N'-[(4-methylphenyl)methoxy]benzenecarboximidamide is Cc1ccc(CON=C(N)c2ccccc2)cc1.
What is the InChIKey of N'-[(4-methylphenyl)methoxy]benzenecarboximidamide?
The InChIKey is JMHHGFQJSHSYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12-7-9-13(10-8-12)11-18-17-15(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,16,17).
What are the key properties of N'-[(4-methylphenyl)methoxy]benzenecarboximidamide?
N'-[(4-methylphenyl)methoxy]benzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 47096549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).