2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide

C10H13ClN2O — CID 24711245

IUPAC2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C10H13ClN2O/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5H2,1-2H3,(H3,12,13)
InChIKeyPOVQIRDKUDYCFP-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.27
Rot. Bonds3

About 2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide

2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide (PubChem CID 24711245) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide
PubChem CID24711245
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C10H13ClN2O/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5H2,1-2H3,(H3,12,13)
InChIKeyPOVQIRDKUDYCFP-UHFFFAOYSA-N
XLogP2.27
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.27
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-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride
CID 134110059
2-(4-chloro-3-methylphenoxy)ethanimidamide
CID 43185947
2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene
CID 130642496
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
2-(3-chloro-4-fluorophenoxy)ethanimidamide
CID 63878137
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 82800181
2-(2-propoxyphenoxy)ethanimidamide
CID 24701744
2-but-3-ynoxy-5-chloro-1,3-dimethylbenzene
CID 63656035
4-[2-(4-chloro-2,6-dimethylphenoxy)acetyl]benzonitrile
CID 62030810
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
4-[(4-chloro-2,6-dimethylphenoxy)methyl]benzenecarbothioamide
CID 30052725

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide (CID 24711245) is 2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide is [H]/N=C(\N)COc1c(C)cc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide?
The InChIKey is POVQIRDKUDYCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5H2,1-2H3,(H3,12,13).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide?
2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide has a molecular weight of 212.68 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)ethanimidamide is sourced from PubChem (CID 24711245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).