2-chloro-6-(3-methylphenoxy)benzenecarboximidamide

C14H13ClN2O — CID 62496843

IUPAC2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1cccc(C)c1
InChIInChI=1S/C14H13ClN2O/c1-9-4-2-5-10(8-9)18-12-7-3-6-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyZOYLCWMHJHWRSH-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.72
Rot. Bonds3

About 2-chloro-6-(3-methylphenoxy)benzenecarboximidamide

2-chloro-6-(3-methylphenoxy)benzenecarboximidamide (PubChem CID 62496843) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-6-(3-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
PubChem CID62496843
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1cccc(C)c1
InChIInChI=1S/C14H13ClN2O/c1-9-4-2-5-10(8-9)18-12-7-3-6-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyZOYLCWMHJHWRSH-UHFFFAOYSA-N
XLogP3.72
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-phenoxybenzenecarboximidamide
CID 53416807
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 62495683
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide
CID 61090670
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174833
2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 55057065
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62497195

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(3-methylphenoxy)benzenecarboximidamide (CID 62496843) is 2-chloro-6-(3-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(3-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(3-methylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Oc1cccc(C)c1.
What is the InChIKey of 2-chloro-6-(3-methylphenoxy)benzenecarboximidamide?
The InChIKey is ZOYLCWMHJHWRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-4-2-5-10(8-9)18-12-7-3-6-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17).
What are the key properties of 2-chloro-6-(3-methylphenoxy)benzenecarboximidamide?
2-chloro-6-(3-methylphenoxy)benzenecarboximidamide has a molecular weight of 260.72 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 62496843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).