N-(2-ethylpentyl)-4-fluoroaniline

C13H20FN — CID 102338338

IUPACN-(2-ethylpentyl)-4-fluoroaniline
SMILESCCCC(CC)CNc1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-3-5-11(4-2)10-15-13-8-6-12(14)7-9-13/h6-9,11,15H,3-5,10H2,1-2H3
InChIKeyGOAZYROSVLQOSN-UHFFFAOYSA-N
MW209.31 g/mol
LogP4.06
Rot. Bonds6

About N-(2-ethylpentyl)-4-fluoroaniline

N-(2-ethylpentyl)-4-fluoroaniline (PubChem CID 102338338) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(2-ethylpentyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(2-ethylpentyl)-4-fluoroaniline
PubChem CID102338338
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-(2-ethylpentyl)-4-fluoroaniline
SMILESCCCC(CC)CNc1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-3-5-11(4-2)10-15-13-8-6-12(14)7-9-13/h6-9,11,15H,3-5,10H2,1-2H3
InChIKeyGOAZYROSVLQOSN-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

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Related Compounds

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N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
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4-(2-ethylbutylamino)-2-fluorophenol
CID 64782965
N-(2-ethylbutyl)-6-methylpyridin-3-amine
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CID 3049392

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpentyl)-4-fluoroaniline?
The IUPAC name of N-(2-ethylpentyl)-4-fluoroaniline (CID 102338338) is N-(2-ethylpentyl)-4-fluoroaniline.
What is the SMILES notation for N-(2-ethylpentyl)-4-fluoroaniline?
The canonical SMILES for N-(2-ethylpentyl)-4-fluoroaniline is CCCC(CC)CNc1ccc(F)cc1.
What is the InChIKey of N-(2-ethylpentyl)-4-fluoroaniline?
The InChIKey is GOAZYROSVLQOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-5-11(4-2)10-15-13-8-6-12(14)7-9-13/h6-9,11,15H,3-5,10H2,1-2H3.
What are the key properties of N-(2-ethylpentyl)-4-fluoroaniline?
N-(2-ethylpentyl)-4-fluoroaniline has a molecular weight of 209.31 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpentyl)-4-fluoroaniline is sourced from PubChem (CID 102338338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).