4-[(2-methylphenyl)methyl]benzenecarboximidamide

C15H16N2 — CID 54485744

IUPAC4-[(2-methylphenyl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2ccccc2C)cc1
InChIInChI=1S/C15H16N2/c1-11-4-2-3-5-14(11)10-12-6-8-13(9-7-12)15(16)17/h2-9H,10H2,1H3,(H3,16,17)
InChIKeyBVDRIXNPIPSRGH-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.87
Rot. Bonds3

About 4-[(2-methylphenyl)methyl]benzenecarboximidamide

4-[(2-methylphenyl)methyl]benzenecarboximidamide (PubChem CID 54485744) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)methyl]benzenecarboximidamide
PubChem CID54485744
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name4-[(2-methylphenyl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2ccccc2C)cc1
InChIInChI=1S/C15H16N2/c1-11-4-2-3-5-14(11)10-12-6-8-13(9-7-12)15(16)17/h2-9H,10H2,1H3,(H3,16,17)
InChIKeyBVDRIXNPIPSRGH-UHFFFAOYSA-N
XLogP2.87
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(2-methylphenyl)methyl]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 55113355
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
[4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408263
4-[3-(4-carbamimidoylphenyl)-2-oxopropyl]benzenecarboximidamide
CID 153102323
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
CID 142911316
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
ethyl 4-benzyl-1-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate
CID 10162539
benzenecarboximidamide;toluene
CID 158219006
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
benzenecarboximidamide;sulfane
CID 172701796
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-prop-2-enylbenzenecarboximidamide
CID 67813760

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methyl]benzenecarboximidamide?
The IUPAC name of 4-[(2-methylphenyl)methyl]benzenecarboximidamide (CID 54485744) is 4-[(2-methylphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(2-methylphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for 4-[(2-methylphenyl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cc2ccccc2C)cc1.
What is the InChIKey of 4-[(2-methylphenyl)methyl]benzenecarboximidamide?
The InChIKey is BVDRIXNPIPSRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-11-4-2-3-5-14(11)10-12-6-8-13(9-7-12)15(16)17/h2-9H,10H2,1H3,(H3,16,17).
What are the key properties of 4-[(2-methylphenyl)methyl]benzenecarboximidamide?
4-[(2-methylphenyl)methyl]benzenecarboximidamide has a molecular weight of 224.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 54485744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).