5-methyl-2-(3-methylphenoxy)benzenecarboximidamide

C15H16N2O — CID 114017320

IUPAC5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cccc(C)c1
InChIInChI=1S/C15H16N2O/c1-10-4-3-5-12(8-10)18-14-7-6-11(2)9-13(14)15(16)17/h3-9H,1-2H3,(H3,16,17)
InChIKeyXLYYRWHLKXZHGQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.38
Rot. Bonds3

About 5-methyl-2-(3-methylphenoxy)benzenecarboximidamide

5-methyl-2-(3-methylphenoxy)benzenecarboximidamide (PubChem CID 114017320) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
PubChem CID114017320
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cccc(C)c1
InChIInChI=1S/C15H16N2O/c1-10-4-3-5-12(8-10)18-14-7-6-11(2)9-13(14)15(16)17/h3-9H,1-2H3,(H3,16,17)
InChIKeyXLYYRWHLKXZHGQ-UHFFFAOYSA-N
XLogP3.38
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.38
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-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide
CID 107930786
2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
CID 107930737
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
CID 62496843
4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 62308166
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
CID 107930884
2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide
CID 107930880
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
2-(3-bromophenoxy)-5-fluorobenzenecarboximidamide
CID 63668840

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 5-methyl-2-(3-methylphenoxy)benzenecarboximidamide (CID 114017320) is 5-methyl-2-(3-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-methyl-2-(3-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 5-methyl-2-(3-methylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1Oc1cccc(C)c1.
What is the InChIKey of 5-methyl-2-(3-methylphenoxy)benzenecarboximidamide?
The InChIKey is XLYYRWHLKXZHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-4-3-5-12(8-10)18-14-7-6-11(2)9-13(14)15(16)17/h3-9H,1-2H3,(H3,16,17).
What are the key properties of 5-methyl-2-(3-methylphenoxy)benzenecarboximidamide?
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 114017320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).