[2-(methoxymethyl)phenyl]azaniumylideneazanide

C8H10N2O — CID 163989337

IUPAC[2-(methoxymethyl)phenyl]azaniumylideneazanide
SMILESCOCc1ccccc1[NH+]=[N-]
InChIInChI=1S/C8H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9/h2-5,10H,6H2,1H3
InChIKeyTZFHLSHUJGNSJS-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.57
Rot. Bonds3

About [2-(methoxymethyl)phenyl]azaniumylideneazanide

[2-(methoxymethyl)phenyl]azaniumylideneazanide (PubChem CID 163989337) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]azaniumylideneazanide.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]azaniumylideneazanide
PubChem CID163989337
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name[2-(methoxymethyl)phenyl]azaniumylideneazanide
SMILESCOCc1ccccc1[NH+]=[N-]
InChIInChI=1S/C8H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9/h2-5,10H,6H2,1H3
InChIKeyTZFHLSHUJGNSJS-UHFFFAOYSA-N
XLogP0.57
TPSA45.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [2-(methoxymethyl)phenyl]azaniumylideneazanide 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

CID 123655745
CID 123655745
N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60744247
1-(methoxymethyl)-2-propan-2-yloxybenzene
CID 154665726
1-fluoro-4-[2-(methoxymethyl)phenyl]benzene
CID 59165552
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene
CID 139783767
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
tris(2,6-bis(methoxymethyl)benzenethiol);trihydrofluoride
CID 173023834
2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
CID 151554514
1-fluorosulfonyloxy-2-(methoxymethyl)benzene
CID 146049460
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
2-(methoxymethyl)phenol;(2-methoxyphenyl)methanol
CID 138113041

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]azaniumylideneazanide?
The IUPAC name of [2-(methoxymethyl)phenyl]azaniumylideneazanide (CID 163989337) is [2-(methoxymethyl)phenyl]azaniumylideneazanide.
What is the SMILES notation for [2-(methoxymethyl)phenyl]azaniumylideneazanide?
The canonical SMILES for [2-(methoxymethyl)phenyl]azaniumylideneazanide is COCc1ccccc1[NH+]=[N-].
What is the InChIKey of [2-(methoxymethyl)phenyl]azaniumylideneazanide?
The InChIKey is TZFHLSHUJGNSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9/h2-5,10H,6H2,1H3.
What are the key properties of [2-(methoxymethyl)phenyl]azaniumylideneazanide?
[2-(methoxymethyl)phenyl]azaniumylideneazanide has a molecular weight of 150.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]azaniumylideneazanide is sourced from PubChem (CID 163989337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).