3-[(4-methylphenyl)methoxy]benzenecarboximidamide

C15H16N2O — CID 3008892

IUPAC3-[(4-methylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2ccc(C)cc2)c1
InChIInChI=1S/C15H16N2O/c1-11-5-7-12(8-6-11)10-18-14-4-2-3-13(9-14)15(16)17/h2-9H,10H2,1H3,(H3,16,17)
InChIKeyUDBCDEPBCHXQMB-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.86
Rot. Bonds4

About 3-[(4-methylphenyl)methoxy]benzenecarboximidamide

3-[(4-methylphenyl)methoxy]benzenecarboximidamide (PubChem CID 3008892) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methoxy]benzenecarboximidamide
PubChem CID3008892
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-[(4-methylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2ccc(C)cc2)c1
InChIInChI=1S/C15H16N2O/c1-11-5-7-12(8-6-11)10-18-14-4-2-3-13(9-14)15(16)17/h2-9H,10H2,1H3,(H3,16,17)
InChIKeyUDBCDEPBCHXQMB-UHFFFAOYSA-N
XLogP2.86
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(4-methylphenyl)methoxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-[(4-methylphenyl)methoxy]benzenecarboximidamide (CID 3008892) is 3-[(4-methylphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-[(4-methylphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-[(4-methylphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCc2ccc(C)cc2)c1.
What is the InChIKey of 3-[(4-methylphenyl)methoxy]benzenecarboximidamide?
The InChIKey is UDBCDEPBCHXQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-5-7-12(8-6-11)10-18-14-4-2-3-13(9-14)15(16)17/h2-9H,10H2,1H3,(H3,16,17).
What are the key properties of 3-[(4-methylphenyl)methoxy]benzenecarboximidamide?
3-[(4-methylphenyl)methoxy]benzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 3008892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).