N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride

C16H19ClN2 — CID 45264555

IUPACN,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride
SMILESC/C(=N\c1ccccc1C)Nc1ccccc1C.Cl
InChIInChI=1S/C16H18N2.ClH/c1-12-8-4-6-10-15(12)17-14(3)18-16-11-7-5-9-13(16)2;/h4-11H,1-3H3,(H,17,18);1H
InChIKeySQSCHOQHGMKOJO-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.89
Rot. Bonds2

About N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride

N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride (PubChem CID 45264555) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride
PubChem CID45264555
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride
SMILESC/C(=N\c1ccccc1C)Nc1ccccc1C.Cl
InChIInChI=1S/C16H18N2.ClH/c1-12-8-4-6-10-15(12)17-14(3)18-16-11-7-5-9-13(16)2;/h4-11H,1-3H3,(H,17,18);1H
InChIKeySQSCHOQHGMKOJO-UHFFFAOYSA-N
XLogP4.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.89
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,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride?
The IUPAC name of N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride (CID 45264555) is N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride?
The canonical SMILES for N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride is C/C(=N\c1ccccc1C)Nc1ccccc1C.Cl.
What is the InChIKey of N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride?
The InChIKey is SQSCHOQHGMKOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2.ClH/c1-12-8-4-6-10-15(12)17-14(3)18-16-11-7-5-9-13(16)2;/h4-11H,1-3H3,(H,17,18);1H.
What are the key properties of N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride?
N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methylphenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 45264555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).