(2-fluoro-6-methoxy-4-methylphenyl)iminoazanium

C8H10FN2O+ — CID 20746841

IUPAC(2-fluoro-6-methoxy-4-methylphenyl)iminoazanium
SMILESCOc1cc(C)cc(F)c1N=[NH2+]
InChIInChI=1S/C8H9FN2O/c1-5-3-6(9)8(11-10)7(4-5)12-2/h3-4,10H,1-2H3/p+1
InChIKeyCIFDAVTVWJZYLN-UHFFFAOYSA-O
MW169.18 g/mol
LogP0.99
Rot. Bonds2

About (2-fluoro-6-methoxy-4-methylphenyl)iminoazanium

(2-fluoro-6-methoxy-4-methylphenyl)iminoazanium (PubChem CID 20746841) has the molecular formula C8H10FN2O+ and a molecular weight of 169.18 g/mol. Its IUPAC name is (2-fluoro-6-methoxy-4-methylphenyl)iminoazanium.

Molecular Properties

Compound Name(2-fluoro-6-methoxy-4-methylphenyl)iminoazanium
PubChem CID20746841
Molecular FormulaC8H10FN2O+
Molecular Weight169.18 g/mol
Exact Mass169.08
IUPAC Name(2-fluoro-6-methoxy-4-methylphenyl)iminoazanium
SMILESCOc1cc(C)cc(F)c1N=[NH2+]
InChIInChI=1S/C8H9FN2O/c1-5-3-6(9)8(11-10)7(4-5)12-2/h3-4,10H,1-2H3/p+1
InChIKeyCIFDAVTVWJZYLN-UHFFFAOYSA-O
XLogP0.99
TPSA47.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-fluoro-6-methoxy-4-methylphenyl)iminoazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methoxy-4-methylphenyl)iminoazanium?
The IUPAC name of (2-fluoro-6-methoxy-4-methylphenyl)iminoazanium (CID 20746841) is (2-fluoro-6-methoxy-4-methylphenyl)iminoazanium.
What is the SMILES notation for (2-fluoro-6-methoxy-4-methylphenyl)iminoazanium?
The canonical SMILES for (2-fluoro-6-methoxy-4-methylphenyl)iminoazanium is COc1cc(C)cc(F)c1N=[NH2+].
What is the InChIKey of (2-fluoro-6-methoxy-4-methylphenyl)iminoazanium?
The InChIKey is CIFDAVTVWJZYLN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9FN2O/c1-5-3-6(9)8(11-10)7(4-5)12-2/h3-4,10H,1-2H3/p+1.
What are the key properties of (2-fluoro-6-methoxy-4-methylphenyl)iminoazanium?
(2-fluoro-6-methoxy-4-methylphenyl)iminoazanium has a molecular weight of 169.18 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methoxy-4-methylphenyl)iminoazanium is sourced from PubChem (CID 20746841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).