N-methyl-N-phenylbenzenecarboximidamide;hydrochloride

C14H15ClN2 — CID 3059413

IUPACN-methyl-N-phenylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C14H14N2.ClH/c1-16(13-10-6-3-7-11-13)14(15)12-8-4-2-5-9-12;/h2-11,15H,1H3;1H/b15-14+;
InChIKeyXLDGFKAZPYBBOQ-WPDLWGESSA-N
MW246.74 g/mol
LogP3.57
Rot. Bonds2

About N-methyl-N-phenylbenzenecarboximidamide;hydrochloride

N-methyl-N-phenylbenzenecarboximidamide;hydrochloride (PubChem CID 3059413) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-methyl-N-phenylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-phenylbenzenecarboximidamide;hydrochloride
PubChem CID3059413
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC NameN-methyl-N-phenylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C14H14N2.ClH/c1-16(13-10-6-3-7-11-13)14(15)12-8-4-2-5-9-12;/h2-11,15H,1H3;1H/b15-14+;
InChIKeyXLDGFKAZPYBBOQ-WPDLWGESSA-N
XLogP3.57
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.57
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylbenzenecarboximidamide;hydrochloride?
The IUPAC name of N-methyl-N-phenylbenzenecarboximidamide;hydrochloride (CID 3059413) is N-methyl-N-phenylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N-methyl-N-phenylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for N-methyl-N-phenylbenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\c1ccccc1)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-phenylbenzenecarboximidamide;hydrochloride?
The InChIKey is XLDGFKAZPYBBOQ-WPDLWGESSA-N. The full InChI is InChI=1S/C14H14N2.ClH/c1-16(13-10-6-3-7-11-13)14(15)12-8-4-2-5-9-12;/h2-11,15H,1H3;1H/b15-14+;.
What are the key properties of N-methyl-N-phenylbenzenecarboximidamide;hydrochloride?
N-methyl-N-phenylbenzenecarboximidamide;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3059413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).