4-(2-aminobutan-2-yl)-3-fluoroaniline

C10H15FN2 — CID 130134130

IUPAC4-(2-aminobutan-2-yl)-3-fluoroaniline
SMILESCCC(C)(N)c1ccc(N)cc1F
InChIInChI=1S/C10H15FN2/c1-3-10(2,13)8-5-4-7(12)6-9(8)11/h4-6H,3,12-13H2,1-2H3
InChIKeyVIWIDZPYSWMTJV-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.99
Rot. Bonds2

About 4-(2-aminobutan-2-yl)-3-fluoroaniline

4-(2-aminobutan-2-yl)-3-fluoroaniline (PubChem CID 130134130) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-(2-aminobutan-2-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(2-aminobutan-2-yl)-3-fluoroaniline
PubChem CID130134130
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name4-(2-aminobutan-2-yl)-3-fluoroaniline
SMILESCCC(C)(N)c1ccc(N)cc1F
InChIInChI=1S/C10H15FN2/c1-3-10(2,13)8-5-4-7(12)6-9(8)11/h4-6H,3,12-13H2,1-2H3
InChIKeyVIWIDZPYSWMTJV-UHFFFAOYSA-N
XLogP1.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-aminobutan-2-yl)-3-fluoroaniline 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-(2-aminobutan-2-yl)-3-fluoroaniline?
The IUPAC name of 4-(2-aminobutan-2-yl)-3-fluoroaniline (CID 130134130) is 4-(2-aminobutan-2-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(2-aminobutan-2-yl)-3-fluoroaniline?
The canonical SMILES for 4-(2-aminobutan-2-yl)-3-fluoroaniline is CCC(C)(N)c1ccc(N)cc1F.
What is the InChIKey of 4-(2-aminobutan-2-yl)-3-fluoroaniline?
The InChIKey is VIWIDZPYSWMTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-3-10(2,13)8-5-4-7(12)6-9(8)11/h4-6H,3,12-13H2,1-2H3.
What are the key properties of 4-(2-aminobutan-2-yl)-3-fluoroaniline?
4-(2-aminobutan-2-yl)-3-fluoroaniline has a molecular weight of 182.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutan-2-yl)-3-fluoroaniline is sourced from PubChem (CID 130134130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).