N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride

C21H21ClN2O — CID 163339966

IUPACN-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride
SMILESCOc1ccc(N/C(=N/c2ccccc2C)c2ccccc2)cc1.Cl
InChIInChI=1S/C21H20N2O.ClH/c1-16-8-6-7-11-20(16)23-21(17-9-4-3-5-10-17)22-18-12-14-19(24-2)15-13-18;/h3-15H,1-2H3,(H,22,23);1H
InChIKeyJOKIHZURXOZTKB-UHFFFAOYSA-N
MW352.87 g/mol
LogP5.62
Rot. Bonds4

About N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride

N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride (PubChem CID 163339966) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride
PubChem CID163339966
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC NameN-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride
SMILESCOc1ccc(N/C(=N/c2ccccc2C)c2ccccc2)cc1.Cl
InChIInChI=1S/C21H20N2O.ClH/c1-16-8-6-7-11-20(16)23-21(17-9-4-3-5-10-17)22-18-12-14-19(24-2)15-13-18;/h3-15H,1-2H3,(H,22,23);1H
InChIKeyJOKIHZURXOZTKB-UHFFFAOYSA-N
XLogP5.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.87
LogP ≤ 55.62
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'}

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Related Compounds

N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide
CID 4779287
4-methoxy-N'-(4-methoxyphenyl)-N-phenylbenzenecarboximidamide;hydrochloride
CID 72949778
N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide
CID 56730349
methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methylphenyl)carbamimidothioate
CID 17255997
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
N-[(4-methoxyanilino)-phenylmethylidene]-N'-phenylazepane-1-carboximidamide
CID 54036187
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride
CID 163339871
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031398

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride (CID 163339966) is N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride is COc1ccc(N/C(=N/c2ccccc2C)c2ccccc2)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride?
The InChIKey is JOKIHZURXOZTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O.ClH/c1-16-8-6-7-11-20(16)23-21(17-9-4-3-5-10-17)22-18-12-14-19(24-2)15-13-18;/h3-15H,1-2H3,(H,22,23);1H.
What are the key properties of N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride?
N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 163339966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).