N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride

C8H9Cl3N2 — CID 45264434

IUPACN-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride
SMILESC/N=C/Nc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C8H8Cl2N2.ClH/c1-11-5-12-8-6(9)3-2-4-7(8)10;/h2-5H,1H3,(H,11,12);1H
InChIKeyILBDBQHDLRQIBS-UHFFFAOYSA-N
MW239.53 g/mol
LogP3.49
Rot. Bonds2

About N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride

N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride (PubChem CID 45264434) has the molecular formula C8H9Cl3N2 and a molecular weight of 239.53 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride
PubChem CID45264434
Molecular FormulaC8H9Cl3N2
Molecular Weight239.53 g/mol
Exact Mass237.98
IUPAC NameN-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride
SMILESC/N=C/Nc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C8H8Cl2N2.ClH/c1-11-5-12-8-6(9)3-2-4-7(8)10;/h2-5H,1H3,(H,11,12);1H
InChIKeyILBDBQHDLRQIBS-UHFFFAOYSA-N
XLogP3.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.53
LogP ≤ 53.49
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-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride?
The IUPAC name of N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride (CID 45264434) is N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride.
What is the SMILES notation for N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride?
The canonical SMILES for N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride is C/N=C/Nc1c(Cl)cccc1Cl.Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride?
The InChIKey is ILBDBQHDLRQIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2.ClH/c1-11-5-12-8-6(9)3-2-4-7(8)10;/h2-5H,1H3,(H,11,12);1H.
What are the key properties of N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride?
N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride has a molecular weight of 239.53 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-N'-methylmethanimidamide;hydrochloride is sourced from PubChem (CID 45264434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).