3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide

C12H18N2O2 — CID 43368455

IUPAC3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccc(C)cc1OC
InChIInChI=1S/C12H18N2O2/c1-8-4-5-10(11(6-8)15-3)16-7-9(2)12(13)14/h4-6,9H,7H2,1-3H3,(H3,13,14)
InChIKeyUNQRMSDHDIJASZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.95
Rot. Bonds5

About 3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide

3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide (PubChem CID 43368455) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
PubChem CID43368455
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccc(C)cc1OC
InChIInChI=1S/C12H18N2O2/c1-8-4-5-10(11(6-8)15-3)16-7-9(2)12(13)14/h4-6,9H,7H2,1-3H3,(H3,13,14)
InChIKeyUNQRMSDHDIJASZ-UHFFFAOYSA-N
XLogP1.95
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide
CID 115002336
3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide
CID 43368818
N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368358
2-methyl-3-(4-methylphenoxy)propanimidamide
CID 43368572
4-(2-methoxy-4-methylphenoxy)butanimidamide
CID 24691030
5-(2-methoxy-4-methylphenoxy)-2,2-dimethylpentanimidamide
CID 65258595
3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24709656
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
3-(2-methoxy-4-methylphenoxy)pentanimidamide
CID 43368449
3-amino-4-(2-methoxy-4-methylphenoxy)butanoic acid
CID 112511333
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide?
The IUPAC name of 3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide (CID 43368455) is 3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide.
What is the SMILES notation for 3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide?
The canonical SMILES for 3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide is [H]/N=C(\N)C(C)COc1ccc(C)cc1OC.
What is the InChIKey of 3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide?
The InChIKey is UNQRMSDHDIJASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-5-10(11(6-8)15-3)16-7-9(2)12(13)14/h4-6,9H,7H2,1-3H3,(H3,13,14).
What are the key properties of 3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide?
3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide has a molecular weight of 222.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide is sourced from PubChem (CID 43368455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).