3-[(2-methylphenoxy)methyl]benzenecarboximidamide

C15H16N2O — CID 24701017

IUPAC3-[(2-methylphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccccc2C)c1
InChIInChI=1S/C15H16N2O/c1-11-5-2-3-8-14(11)18-10-12-6-4-7-13(9-12)15(16)17/h2-9H,10H2,1H3,(H3,16,17)
InChIKeyNSCGOEVUGYQRHP-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.86
Rot. Bonds4

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

3-[(2-methylphenoxy)methyl]benzenecarboximidamide (PubChem CID 24701017) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(2-methylphenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]benzenecarboximidamide
PubChem CID24701017
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-[(2-methylphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccccc2C)c1
InChIInChI=1S/C15H16N2O/c1-11-5-2-3-8-14(11)18-10-12-6-4-7-13(9-12)15(16)17/h2-9H,10H2,1H3,(H3,16,17)
InChIKeyNSCGOEVUGYQRHP-UHFFFAOYSA-N
XLogP2.86
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.86
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-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529
3-[[5-[(3-ethanimidoylphenyl)methoxy]naphthalen-1-yl]oxymethyl]benzenecarboximidamide
CID 143028132
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400
3-[[2-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107712654
3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
CID 64853652
3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24709656
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride
CID 82253720
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148
4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide
CID 73355195
3,5-dibromo-4-[(3-carbamimidoylphenyl)methoxy]benzenecarboximidamide
CID 73353685

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]benzenecarboximidamide?
The IUPAC name of 3-[(2-methylphenoxy)methyl]benzenecarboximidamide (CID 24701017) is 3-[(2-methylphenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2ccccc2C)c1.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]benzenecarboximidamide?
The InChIKey is NSCGOEVUGYQRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-5-2-3-8-14(11)18-10-12-6-4-7-13(9-12)15(16)17/h2-9H,10H2,1H3,(H3,16,17).
What are the key properties of 3-[(2-methylphenoxy)methyl]benzenecarboximidamide?
3-[(2-methylphenoxy)methyl]benzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 24701017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).