(4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride

C10H14Cl2N2 — CID 29765

IUPAC(4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride
SMILESCc1cc(Cl)ccc1/N=C/[NH+](C)C.[Cl-]
InChIInChI=1S/C10H13ClN2.ClH/c1-8-6-9(11)4-5-10(8)12-7-13(2)3;/h4-7H,1-3H3;1H/b12-7+;
InChIKeyWZFNZVJGDCKNME-RRAJOLSVSA-N
MW233.14 g/mol
LogP-1.54
Rot. Bonds2

About (4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride

(4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride (PubChem CID 29765) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride
PubChem CID29765
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name(4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride
SMILESCc1cc(Cl)ccc1/N=C/[NH+](C)C.[Cl-]
InChIInChI=1S/C10H13ClN2.ClH/c1-8-6-9(11)4-5-10(8)12-7-13(2)3;/h4-7H,1-3H3;1H/b12-7+;
InChIKeyWZFNZVJGDCKNME-RRAJOLSVSA-N
XLogP-1.54
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 5-1.54
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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Related Compounds

Chlordimeform
CID 22544
Chlordimeform hydrochloride
CID 12336279
N-(4-chloro-2-cyanophenyl)imidodicarbonimidic diamide
CID 2730570
N-(4-Chloro-2-methylphenyl)-N'-methylmethanimidamide
CID 30814
N,N-Didemethylchlordimeform
CID 42141
4-Chloro-2,N-dimethylaniline
CID 300957
Imidodicarbonimidic diamide, N-(4-chloro-2-methylphenyl)-
CID 2725584
Formamidine, N'-(3-chloro-o-tolyl)-N,N-dimethyl-
CID 25765
Pyrrolidine, 2-((4-chloro-2-methylphenyl)imino)-1-methyl-
CID 213766
4-Chloro-2-((dimethylamino)methyl)aniline
CID 57625593
Benzenamine, 4-chloro-N-2-imidazolidinylidene-2-methyl-, monohydrochloride
CID 185945
1-Amino-2-(4-chloro-2-methylphenyl)guanidine
CID 2826685

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride?
The IUPAC name of (4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride (CID 29765) is (4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride.
What is the SMILES notation for (4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride?
The canonical SMILES for (4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride is Cc1cc(Cl)ccc1/N=C/[NH+](C)C.[Cl-].
What is the InChIKey of (4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride?
The InChIKey is WZFNZVJGDCKNME-RRAJOLSVSA-N. The full InChI is InChI=1S/C10H13ClN2.ClH/c1-8-6-9(11)4-5-10(8)12-7-13(2)3;/h4-7H,1-3H3;1H/b12-7+;.
What are the key properties of (4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride?
(4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride has a molecular weight of 233.14 g/mol, XLogP of -1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)iminomethyl-dimethylazanium chloride is sourced from PubChem (CID 29765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).