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

C11H15ClN2O — CID 115002336

IUPAC3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccc(C)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-7-3-4-10(9(12)5-7)15-6-8(2)11(13)14/h3-5,8H,6H2,1-2H3,(H3,13,14)
InChIKeyQHCMMJRKJPETHR-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.60
Rot. Bonds4

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

3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide (PubChem CID 115002336) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide
PubChem CID115002336
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccc(C)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-7-3-4-10(9(12)5-7)15-6-8(2)11(13)14/h3-5,8H,6H2,1-2H3,(H3,13,14)
InChIKeyQHCMMJRKJPETHR-UHFFFAOYSA-N
XLogP2.60
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.60
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

3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide
CID 43368818
3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368455
2-methyl-3-(4-methylphenoxy)propanimidamide
CID 43368572
2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 62671114
(2R)-1-(2-chloro-4-methylphenoxy)-3-methoxypropan-2-ol
CID 167829442
3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 62672408
2-chloro-1-(2,2-diethoxyethoxy)-4-methylbenzene
CID 63628940
2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370450
2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366797
3-chloro-4-(3-methylbutoxy)benzenecarboximidamide
CID 61388930
2-methyl-3-(4-propoxyphenoxy)propanimidamide
CID 43175340
3-(2-amino-5-methylphenoxy)-2-methylpropanamide
CID 43311815

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide?
The IUPAC name of 3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide (CID 115002336) is 3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide.
What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide?
The canonical SMILES for 3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide is [H]/N=C(\N)C(C)COc1ccc(C)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide?
The InChIKey is QHCMMJRKJPETHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7-3-4-10(9(12)5-7)15-6-8(2)11(13)14/h3-5,8H,6H2,1-2H3,(H3,13,14).
What are the key properties of 3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide?
3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide has a molecular weight of 226.71 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide is sourced from PubChem (CID 115002336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).