4-(phenylmethoxymethyl)benzenecarboximidamide

C15H16N2O — CID 24689909

IUPAC4-(phenylmethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O/c16-15(17)14-8-6-13(7-9-14)11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H3,16,17)
InChIKeyDMFCCIRTUMFWBF-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.69
Rot. Bonds5

About 4-(phenylmethoxymethyl)benzenecarboximidamide

4-(phenylmethoxymethyl)benzenecarboximidamide (PubChem CID 24689909) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(phenylmethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(phenylmethoxymethyl)benzenecarboximidamide
PubChem CID24689909
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-(phenylmethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O/c16-15(17)14-8-6-13(7-9-14)11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H3,16,17)
InChIKeyDMFCCIRTUMFWBF-UHFFFAOYSA-N
XLogP2.69
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethyl)benzenecarboximidamide?
The IUPAC name of 4-(phenylmethoxymethyl)benzenecarboximidamide (CID 24689909) is 4-(phenylmethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(phenylmethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 4-(phenylmethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 4-(phenylmethoxymethyl)benzenecarboximidamide?
The InChIKey is DMFCCIRTUMFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-15(17)14-8-6-13(7-9-14)11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H3,16,17).
What are the key properties of 4-(phenylmethoxymethyl)benzenecarboximidamide?
4-(phenylmethoxymethyl)benzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 24689909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).