N'-[(2-methylphenyl)methyl]benzenecarboximidamide

C15H16N2 — CID 63175435

IUPACN'-[(2-methylphenyl)methyl]benzenecarboximidamide
SMILESCc1ccccc1C/N=C(\N)c1ccccc1
InChIInChI=1S/C15H16N2/c1-12-7-5-6-10-14(12)11-17-15(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,16,17)
InChIKeyJZHMUZUEHCXAPN-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.90
Rot. Bonds3

About N'-[(2-methylphenyl)methyl]benzenecarboximidamide

N'-[(2-methylphenyl)methyl]benzenecarboximidamide (PubChem CID 63175435) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-[(2-methylphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(2-methylphenyl)methyl]benzenecarboximidamide
PubChem CID63175435
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC NameN'-[(2-methylphenyl)methyl]benzenecarboximidamide
SMILESCc1ccccc1C/N=C(\N)c1ccccc1
InChIInChI=1S/C15H16N2/c1-12-7-5-6-10-14(12)11-17-15(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,16,17)
InChIKeyJZHMUZUEHCXAPN-UHFFFAOYSA-N
XLogP2.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-[(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

1,2-bis[(2-methylphenyl)methyl]guanidine
CID 19974401
1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride
CID 175917491
2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912166
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
1-butan-2-yl-2-[(2-methylphenyl)methyl]guanidine
CID 110919328
N'-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenecarboximidamide
CID 63177005
N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide
CID 63176850
N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide
CID 63177992
4-[(2-methylphenyl)methylimino]pentan-2-one
CID 123825022
N'-(thiophen-2-ylmethyl)benzenecarboximidamide
CID 62049809
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methylphenyl)methyl]benzenecarboximidamide?
The IUPAC name of N'-[(2-methylphenyl)methyl]benzenecarboximidamide (CID 63175435) is N'-[(2-methylphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(2-methylphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-[(2-methylphenyl)methyl]benzenecarboximidamide is Cc1ccccc1C/N=C(\N)c1ccccc1.
What is the InChIKey of N'-[(2-methylphenyl)methyl]benzenecarboximidamide?
The InChIKey is JZHMUZUEHCXAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-12-7-5-6-10-14(12)11-17-15(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,16,17).
What are the key properties of N'-[(2-methylphenyl)methyl]benzenecarboximidamide?
N'-[(2-methylphenyl)methyl]benzenecarboximidamide has a molecular weight of 224.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methylphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 63175435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).