3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide

C16H18N2O2 — CID 24709656

IUPAC3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccc(C)cc2OC)c1
InChIInChI=1S/C16H18N2O2/c1-11-6-7-14(15(8-11)19-2)20-10-12-4-3-5-13(9-12)16(17)18/h3-9H,10H2,1-2H3,(H3,17,18)
InChIKeyRBRUJALUBKSPIS-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.87
Rot. Bonds5

About 3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide

3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide (PubChem CID 24709656) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
PubChem CID24709656
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccc(C)cc2OC)c1
InChIInChI=1S/C16H18N2O2/c1-11-6-7-14(15(8-11)19-2)20-10-12-4-3-5-13(9-12)16(17)18/h3-9H,10H2,1-2H3,(H3,17,18)
InChIKeyRBRUJALUBKSPIS-UHFFFAOYSA-N
XLogP2.87
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.87
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'}

Analyze 3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
CID 64853652
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82253903
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400
3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 61388847
3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82253528
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
3-[[5-[(3-ethanimidoylphenyl)methoxy]naphthalen-1-yl]oxymethyl]benzenecarboximidamide
CID 143028132
4-[(2,4-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791193

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide?
The IUPAC name of 3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide (CID 24709656) is 3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2ccc(C)cc2OC)c1.
What is the InChIKey of 3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide?
The InChIKey is RBRUJALUBKSPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-6-7-14(15(8-11)19-2)20-10-12-4-3-5-13(9-12)16(17)18/h3-9H,10H2,1-2H3,(H3,17,18).
What are the key properties of 3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide?
3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide has a molecular weight of 270.33 g/mol, XLogP of 2.87, 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)methyl]benzenecarboximidamide is sourced from PubChem (CID 24709656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).