2-chloro-6-methyl-N'-phenylbenzenecarboximidamide

C14H13ClN2 — CID 150758407

IUPAC2-chloro-6-methyl-N'-phenylbenzenecarboximidamide
SMILESCc1cccc(Cl)c1/C(N)=N/c1ccccc1
InChIInChI=1S/C14H13ClN2/c1-10-6-5-9-12(15)13(10)14(16)17-11-7-3-2-4-8-11/h2-9H,1H3,(H2,16,17)
InChIKeyJXIGDXOXBCWYGK-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.69
Rot. Bonds2

About 2-chloro-6-methyl-N'-phenylbenzenecarboximidamide

2-chloro-6-methyl-N'-phenylbenzenecarboximidamide (PubChem CID 150758407) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-chloro-6-methyl-N'-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N'-phenylbenzenecarboximidamide
PubChem CID150758407
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name2-chloro-6-methyl-N'-phenylbenzenecarboximidamide
SMILESCc1cccc(Cl)c1/C(N)=N/c1ccccc1
InChIInChI=1S/C14H13ClN2/c1-10-6-5-9-12(15)13(10)14(16)17-11-7-3-2-4-8-11/h2-9H,1H3,(H2,16,17)
InChIKeyJXIGDXOXBCWYGK-UHFFFAOYSA-N
XLogP3.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.69
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

2-chloro-6-methyl-N'-(4-methylsulfonylphenyl)benzenecarboximidamide
CID 10853329
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane
CID 145320894
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
1-amino-2-(2-chloro-6-methylphenyl)-3-phenylguanidine
CID 116515718
(2-chloro-6-methylphenyl)-diphenylphosphorylmethanethione
CID 54557608
2-chloro-N'-methylbenzenecarboximidamide;hydrochloride
CID 110209427
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984
1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
CID 163302600
1-[(2-chlorophenyl)methyl]-1-methyl-2-phenylguanidine
CID 62361409

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N'-phenylbenzenecarboximidamide?
The IUPAC name of 2-chloro-6-methyl-N'-phenylbenzenecarboximidamide (CID 150758407) is 2-chloro-6-methyl-N'-phenylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-methyl-N'-phenylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-methyl-N'-phenylbenzenecarboximidamide is Cc1cccc(Cl)c1/C(N)=N/c1ccccc1.
What is the InChIKey of 2-chloro-6-methyl-N'-phenylbenzenecarboximidamide?
The InChIKey is JXIGDXOXBCWYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c1-10-6-5-9-12(15)13(10)14(16)17-11-7-3-2-4-8-11/h2-9H,1H3,(H2,16,17).
What are the key properties of 2-chloro-6-methyl-N'-phenylbenzenecarboximidamide?
2-chloro-6-methyl-N'-phenylbenzenecarboximidamide has a molecular weight of 244.73 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N'-phenylbenzenecarboximidamide is sourced from PubChem (CID 150758407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).