2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride

C11H17ClN2O — CID 134110059

IUPAC2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)COc1c(C)cc(C)cc1C
InChIInChI=1S/C11H16N2O.ClH/c1-7-4-8(2)11(9(3)5-7)14-6-10(12)13;/h4-5H,6H2,1-3H3,(H3,12,13);1H
InChIKeyNLBYYSIEZQTUDF-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.35
Rot. Bonds3

About 2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride

2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride (PubChem CID 134110059) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride
PubChem CID134110059
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)COc1c(C)cc(C)cc1C
InChIInChI=1S/C11H16N2O.ClH/c1-7-4-8(2)11(9(3)5-7)14-6-10(12)13;/h4-5H,6H2,1-3H3,(H3,12,13);1H
InChIKeyNLBYYSIEZQTUDF-UHFFFAOYSA-N
XLogP2.35
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.35
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-(4-chloro-2,6-dimethylphenoxy)ethanimidamide
CID 24711245
N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide
CID 116820383
2-(2,4,6-trimethylphenyl)ethanimidamide
CID 3660165
5-(2,4-dimethyl-6-nitrophenoxy)pentanimidamide
CID 62099014
2-(4-chloro-3-methylphenoxy)ethanimidamide
CID 43185947
3-(2,4-dimethyl-6-nitrophenoxy)propanimidamide
CID 62099013
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400
2-(2-propoxyphenoxy)ethanimidamide
CID 24701744
N-[4-(2-amino-2-iminoethoxy)-2-methylphenyl]acetamide
CID 99976130
4-(2-methoxy-4-methylphenoxy)butanimidamide
CID 24691030
2-(4-ethylphenoxy)ethanimidamide
CID 24709698
2,2-dimethyl-3-(2,4,6-trimethylphenoxy)propanethioamide
CID 82087771

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride?
The IUPAC name of 2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride (CID 134110059) is 2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride.
What is the SMILES notation for 2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride?
The canonical SMILES for 2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride is Cl.[H]/N=C(\N)COc1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride?
The InChIKey is NLBYYSIEZQTUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-7-4-8(2)11(9(3)5-7)14-6-10(12)13;/h4-5H,6H2,1-3H3,(H3,12,13);1H.
What are the key properties of 2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride?
2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride is sourced from PubChem (CID 134110059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).