2-(2,4,6-trimethylphenyl)ethanimidamide

C11H16N2 — CID 3660165

IUPAC2-(2,4,6-trimethylphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C11H16N2/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3,(H3,12,13)
InChIKeyLJCUDFDOLRHFFO-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.09
Rot. Bonds2

About 2-(2,4,6-trimethylphenyl)ethanimidamide

2-(2,4,6-trimethylphenyl)ethanimidamide (PubChem CID 3660165) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)ethanimidamide
PubChem CID3660165
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-(2,4,6-trimethylphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C11H16N2/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3,(H3,12,13)
InChIKeyLJCUDFDOLRHFFO-UHFFFAOYSA-N
XLogP2.09
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
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-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride
CID 134110059
2-(2-hydroxy-5-methylphenyl)ethanimidamide
CID 83676586
2-(3-tert-butyl-2,6-dimethylphenyl)ethanimidamide
CID 125466245
2-(3-bromo-4-methylphenyl)ethanimidamide
CID 130663671
methanamine;propanimidamide
CID 158653796
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride
CID 19691433
2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83676274
2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide
CID 83876733
2-(2,6-dichlorophenyl)ethanimidamide chloride
CID 45108783
3-amino-N-(2,4-dimethylphenyl)-3-iminopropanamide
CID 99990198
3,5-dimethylpyridine-2-carboximidamide
CID 112703746

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)ethanimidamide?
The IUPAC name of 2-(2,4,6-trimethylphenyl)ethanimidamide (CID 3660165) is 2-(2,4,6-trimethylphenyl)ethanimidamide.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)ethanimidamide?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)ethanimidamide is [H]/N=C(\N)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)ethanimidamide?
The InChIKey is LJCUDFDOLRHFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3,(H3,12,13).
What are the key properties of 2-(2,4,6-trimethylphenyl)ethanimidamide?
2-(2,4,6-trimethylphenyl)ethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)ethanimidamide is sourced from PubChem (CID 3660165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).