[4-(dimethylamino)-3-fluorophenyl]azanium

C8H12FN2+ — CID 140634882

IUPAC[4-(dimethylamino)-3-fluorophenyl]azanium
SMILESCN(C)c1ccc([NH3+])cc1F
InChIInChI=1S/C8H11FN2/c1-11(2)8-4-3-6(10)5-7(8)9/h3-5H,10H2,1-2H3/p+1
InChIKeyHWMMSIBCJCJIJM-UHFFFAOYSA-O
MW155.20 g/mol
LogP0.77
Rot. Bonds1

About [4-(dimethylamino)-3-fluorophenyl]azanium

[4-(dimethylamino)-3-fluorophenyl]azanium (PubChem CID 140634882) has the molecular formula C8H12FN2+ and a molecular weight of 155.20 g/mol. Its IUPAC name is [4-(dimethylamino)-3-fluorophenyl]azanium.

Molecular Properties

Compound Name[4-(dimethylamino)-3-fluorophenyl]azanium
PubChem CID140634882
Molecular FormulaC8H12FN2+
Molecular Weight155.20 g/mol
Exact Mass155.10
IUPAC Name[4-(dimethylamino)-3-fluorophenyl]azanium
SMILESCN(C)c1ccc([NH3+])cc1F
InChIInChI=1S/C8H11FN2/c1-11(2)8-4-3-6(10)5-7(8)9/h3-5H,10H2,1-2H3/p+1
InChIKeyHWMMSIBCJCJIJM-UHFFFAOYSA-O
XLogP0.77
TPSA30.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [4-(dimethylamino)-3-fluorophenyl]azanium 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 [4-(dimethylamino)-3-fluorophenyl]azanium?
The IUPAC name of [4-(dimethylamino)-3-fluorophenyl]azanium (CID 140634882) is [4-(dimethylamino)-3-fluorophenyl]azanium.
What is the SMILES notation for [4-(dimethylamino)-3-fluorophenyl]azanium?
The canonical SMILES for [4-(dimethylamino)-3-fluorophenyl]azanium is CN(C)c1ccc([NH3+])cc1F.
What is the InChIKey of [4-(dimethylamino)-3-fluorophenyl]azanium?
The InChIKey is HWMMSIBCJCJIJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11FN2/c1-11(2)8-4-3-6(10)5-7(8)9/h3-5H,10H2,1-2H3/p+1.
What are the key properties of [4-(dimethylamino)-3-fluorophenyl]azanium?
[4-(dimethylamino)-3-fluorophenyl]azanium has a molecular weight of 155.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-fluorophenyl]azanium is sourced from PubChem (CID 140634882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).