N-(4,4-dimethylpentyl)-4-fluoroaniline

C13H20FN — CID 69410381

IUPACN-(4,4-dimethylpentyl)-4-fluoroaniline
SMILESCC(C)(C)CCCNc1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-13(2,3)9-4-10-15-12-7-5-11(14)6-8-12/h5-8,15H,4,9-10H2,1-3H3
InChIKeyPIXUEUQYFKFPIX-UHFFFAOYSA-N
MW209.31 g/mol
LogP4.06
Rot. Bonds4

About N-(4,4-dimethylpentyl)-4-fluoroaniline

N-(4,4-dimethylpentyl)-4-fluoroaniline (PubChem CID 69410381) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-4-fluoroaniline
PubChem CID69410381
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-(4,4-dimethylpentyl)-4-fluoroaniline
SMILESCC(C)(C)CCCNc1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-13(2,3)9-4-10-15-12-7-5-11(14)6-8-12/h5-8,15H,4,9-10H2,1-3H3
InChIKeyPIXUEUQYFKFPIX-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209362
4-fluoro-N-heptylaniline
CID 43129312
4-fluoro-N-(3,3,3-trifluoropropyl)aniline
CID 57038239
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537
N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110421113
N-(15,15-dimethylhexadecyl)pyridin-4-amine
CID 173437597
N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
CID 114209369
N-(4,4-dimethylpentyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 114209373
4-chloro-N-(3,3-dimethylbutyl)aniline
CID 63422383
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60687515
N-(4-chloro-4,4-difluorobutyl)-4-methylaniline
CID 67832575
4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline
CID 82095998

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-4-fluoroaniline?
The IUPAC name of N-(4,4-dimethylpentyl)-4-fluoroaniline (CID 69410381) is N-(4,4-dimethylpentyl)-4-fluoroaniline.
What is the SMILES notation for N-(4,4-dimethylpentyl)-4-fluoroaniline?
The canonical SMILES for N-(4,4-dimethylpentyl)-4-fluoroaniline is CC(C)(C)CCCNc1ccc(F)cc1.
What is the InChIKey of N-(4,4-dimethylpentyl)-4-fluoroaniline?
The InChIKey is PIXUEUQYFKFPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-13(2,3)9-4-10-15-12-7-5-11(14)6-8-12/h5-8,15H,4,9-10H2,1-3H3.
What are the key properties of N-(4,4-dimethylpentyl)-4-fluoroaniline?
N-(4,4-dimethylpentyl)-4-fluoroaniline has a molecular weight of 209.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-4-fluoroaniline is sourced from PubChem (CID 69410381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).