5-fluoro-2-(3-methylbutyl)aniline

C11H16FN — CID 105439652

IUPAC5-fluoro-2-(3-methylbutyl)aniline
SMILESCC(C)CCc1ccc(F)cc1N
InChIInChI=1S/C11H16FN/c1-8(2)3-4-9-5-6-10(12)7-11(9)13/h5-8H,3-4,13H2,1-2H3
InChIKeyIBFUYUARRWHBAV-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.00
Rot. Bonds3

About 5-fluoro-2-(3-methylbutyl)aniline

5-fluoro-2-(3-methylbutyl)aniline (PubChem CID 105439652) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 5-fluoro-2-(3-methylbutyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(3-methylbutyl)aniline
PubChem CID105439652
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name5-fluoro-2-(3-methylbutyl)aniline
SMILESCC(C)CCc1ccc(F)cc1N
InChIInChI=1S/C11H16FN/c1-8(2)3-4-9-5-6-10(12)7-11(9)13/h5-8H,3-4,13H2,1-2H3
InChIKeyIBFUYUARRWHBAV-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-(3-methylbutyl)aniline 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

5-fluoro-2-(2-methylpropyl)aniline
CID 105433538
2-(3-aminobutyl)-4-fluoroaniline
CID 105440162
2-(3-chloropropyl)-5-fluoroaniline
CID 118853666
5-fluoro-2-(fluoromethyl)aniline
CID 91883417
ethane;2-(3-methylbutyl)aniline
CID 143042088
4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 18334758
5-fluoro-2-(propan-2-ylsulfonylmethyl)aniline
CID 64769392
5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline
CID 64770363
4-fluoro-2-(4-methylpentoxy)aniline
CID 62377671
4-(4-fluoro-2-iodophenyl)butan-2-amine
CID 130054391
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methylbutyl)aniline?
The IUPAC name of 5-fluoro-2-(3-methylbutyl)aniline (CID 105439652) is 5-fluoro-2-(3-methylbutyl)aniline.
What is the SMILES notation for 5-fluoro-2-(3-methylbutyl)aniline?
The canonical SMILES for 5-fluoro-2-(3-methylbutyl)aniline is CC(C)CCc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(3-methylbutyl)aniline?
The InChIKey is IBFUYUARRWHBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(2)3-4-9-5-6-10(12)7-11(9)13/h5-8H,3-4,13H2,1-2H3.
What are the key properties of 5-fluoro-2-(3-methylbutyl)aniline?
5-fluoro-2-(3-methylbutyl)aniline has a molecular weight of 181.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methylbutyl)aniline is sourced from PubChem (CID 105439652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).