3-fluoro-5-pentan-2-ylaniline

C11H16FN — CID 135267020

IUPAC3-fluoro-5-pentan-2-ylaniline
SMILESCCCC(C)c1cc(N)cc(F)c1
InChIInChI=1S/C11H16FN/c1-3-4-8(2)9-5-10(12)7-11(13)6-9/h5-8H,3-4,13H2,1-2H3
InChIKeyAYOIGRAPZXGSPI-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.31
Rot. Bonds3

About 3-fluoro-5-pentan-2-ylaniline

3-fluoro-5-pentan-2-ylaniline (PubChem CID 135267020) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 3-fluoro-5-pentan-2-ylaniline.

Molecular Properties

Compound Name3-fluoro-5-pentan-2-ylaniline
PubChem CID135267020
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name3-fluoro-5-pentan-2-ylaniline
SMILESCCCC(C)c1cc(N)cc(F)c1
InChIInChI=1S/C11H16FN/c1-3-4-8(2)9-5-10(12)7-11(13)6-9/h5-8H,3-4,13H2,1-2H3
InChIKeyAYOIGRAPZXGSPI-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-5-pentan-2-ylaniline 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

N-(3-fluoro-5-pentan-2-ylphenyl)acetamide
CID 155396943
2-(3,5-difluorophenyl)hexan-3-amine
CID 83048523
1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
CID 103454916
1-(3-amino-5-fluorophenyl)-4-bromobutane-1,2-diol
CID 171891706
2-(3-amino-5-fluorophenyl)-2-(methylamino)ethanol
CID 130000481
4-(4-pentan-2-ylphenoxy)aniline
CID 19386569
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
4-fluoro-2-pentan-2-ylpyridine
CID 134243640
3-(3,5-difluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 81015226
2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid
CID 122039739
1-bromo-3-butan-2-yl-5-fluorobenzene
CID 130384481
1-amino-1-(3,5-difluorophenyl)butan-2-ol
CID 130150345

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-pentan-2-ylaniline?
The IUPAC name of 3-fluoro-5-pentan-2-ylaniline (CID 135267020) is 3-fluoro-5-pentan-2-ylaniline.
What is the SMILES notation for 3-fluoro-5-pentan-2-ylaniline?
The canonical SMILES for 3-fluoro-5-pentan-2-ylaniline is CCCC(C)c1cc(N)cc(F)c1.
What is the InChIKey of 3-fluoro-5-pentan-2-ylaniline?
The InChIKey is AYOIGRAPZXGSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-4-8(2)9-5-10(12)7-11(13)6-9/h5-8H,3-4,13H2,1-2H3.
What are the key properties of 3-fluoro-5-pentan-2-ylaniline?
3-fluoro-5-pentan-2-ylaniline has a molecular weight of 181.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-pentan-2-ylaniline is sourced from PubChem (CID 135267020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).