2-methyl-3-(4-methylphenoxy)propanimidamide

C11H16N2O — CID 43368572

IUPAC2-methyl-3-(4-methylphenoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccc(C)cc1
InChIInChI=1S/C11H16N2O/c1-8-3-5-10(6-4-8)14-7-9(2)11(12)13/h3-6,9H,7H2,1-2H3,(H3,12,13)
InChIKeyGZOJIHCBSCGTHH-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.95
Rot. Bonds4

About 2-methyl-3-(4-methylphenoxy)propanimidamide

2-methyl-3-(4-methylphenoxy)propanimidamide (PubChem CID 43368572) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenoxy)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenoxy)propanimidamide
PubChem CID43368572
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-methyl-3-(4-methylphenoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COc1ccc(C)cc1
InChIInChI=1S/C11H16N2O/c1-8-3-5-10(6-4-8)14-7-9(2)11(12)13/h3-6,9H,7H2,1-2H3,(H3,12,13)
InChIKeyGZOJIHCBSCGTHH-UHFFFAOYSA-N
XLogP1.95
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.95
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-methyl-3-(4-propoxyphenoxy)propanimidamide
CID 43175340
3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368455
3-(2-bromo-4-methylphenoxy)-2-methylpropanimidamide
CID 43368818
3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide
CID 115002336
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
2-methyl-3-(2-nitrophenoxy)propanimidamide
CID 114995802
(4-methylphenyl) carbamimidate
CID 44562278
N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide
CID 77031375
2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 114995344
2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine
CID 55064194

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylphenoxy)propanimidamide?
The IUPAC name of 2-methyl-3-(4-methylphenoxy)propanimidamide (CID 43368572) is 2-methyl-3-(4-methylphenoxy)propanimidamide.
What is the SMILES notation for 2-methyl-3-(4-methylphenoxy)propanimidamide?
The canonical SMILES for 2-methyl-3-(4-methylphenoxy)propanimidamide is [H]/N=C(\N)C(C)COc1ccc(C)cc1.
What is the InChIKey of 2-methyl-3-(4-methylphenoxy)propanimidamide?
The InChIKey is GZOJIHCBSCGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-3-5-10(6-4-8)14-7-9(2)11(12)13/h3-6,9H,7H2,1-2H3,(H3,12,13).
What are the key properties of 2-methyl-3-(4-methylphenoxy)propanimidamide?
2-methyl-3-(4-methylphenoxy)propanimidamide has a molecular weight of 192.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylphenoxy)propanimidamide is sourced from PubChem (CID 43368572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).