N'-phenylmethoxymethanimidamide

C8H10N2O — CID 50989521

IUPACN'-phenylmethoxymethanimidamide
SMILESN/C=N/OCc1ccccc1
InChIInChI=1S/C8H10N2O/c9-7-10-11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,9,10)
InChIKeyROILTULNFNMYOZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.11
Rot. Bonds3

About N'-phenylmethoxymethanimidamide

N'-phenylmethoxymethanimidamide (PubChem CID 50989521) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N'-phenylmethoxymethanimidamide.

Molecular Properties

Compound NameN'-phenylmethoxymethanimidamide
PubChem CID50989521
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN'-phenylmethoxymethanimidamide
SMILESN/C=N/OCc1ccccc1
InChIInChI=1S/C8H10N2O/c9-7-10-11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,9,10)
InChIKeyROILTULNFNMYOZ-UHFFFAOYSA-N
XLogP1.11
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-phenylmethoxymethanimidamide?
The IUPAC name of N'-phenylmethoxymethanimidamide (CID 50989521) is N'-phenylmethoxymethanimidamide.
What is the SMILES notation for N'-phenylmethoxymethanimidamide?
The canonical SMILES for N'-phenylmethoxymethanimidamide is N/C=N/OCc1ccccc1.
What is the InChIKey of N'-phenylmethoxymethanimidamide?
The InChIKey is ROILTULNFNMYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-7-10-11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,9,10).
What are the key properties of N'-phenylmethoxymethanimidamide?
N'-phenylmethoxymethanimidamide has a molecular weight of 150.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenylmethoxymethanimidamide is sourced from PubChem (CID 50989521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).