(2-amino-6-fluorophenyl)methylazanium

C7H10FN2+ — CID 7144995

IUPAC(2-amino-6-fluorophenyl)methylazanium
SMILESNc1cccc(F)c1C[NH3+]
InChIInChI=1S/C7H9FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,4,9-10H2/p+1
InChIKeyKBIXYFABFIYSAU-UHFFFAOYSA-O
MW141.17 g/mol
LogP0.15
Rot. Bonds1

About (2-amino-6-fluorophenyl)methylazanium

(2-amino-6-fluorophenyl)methylazanium (PubChem CID 7144995) has the molecular formula C7H10FN2+ and a molecular weight of 141.17 g/mol. Its IUPAC name is (2-amino-6-fluorophenyl)methylazanium.

Molecular Properties

Compound Name(2-amino-6-fluorophenyl)methylazanium
PubChem CID7144995
Molecular FormulaC7H10FN2+
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2-amino-6-fluorophenyl)methylazanium
SMILESNc1cccc(F)c1C[NH3+]
InChIInChI=1S/C7H9FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,4,9-10H2/p+1
InChIKeyKBIXYFABFIYSAU-UHFFFAOYSA-O
XLogP0.15
TPSA53.66 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2-amino-6-fluorophenyl)methylazanium 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-amino-6-fluorophenyl)methylazanium?
The IUPAC name of (2-amino-6-fluorophenyl)methylazanium (CID 7144995) is (2-amino-6-fluorophenyl)methylazanium.
What is the SMILES notation for (2-amino-6-fluorophenyl)methylazanium?
The canonical SMILES for (2-amino-6-fluorophenyl)methylazanium is Nc1cccc(F)c1C[NH3+].
What is the InChIKey of (2-amino-6-fluorophenyl)methylazanium?
The InChIKey is KBIXYFABFIYSAU-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,4,9-10H2/p+1.
What are the key properties of (2-amino-6-fluorophenyl)methylazanium?
(2-amino-6-fluorophenyl)methylazanium has a molecular weight of 141.17 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-fluorophenyl)methylazanium is sourced from PubChem (CID 7144995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).