3-(1-cyclopentyl-1-fluoroethyl)aniline

C13H18FN — CID 115025375

IUPAC3-(1-cyclopentyl-1-fluoroethyl)aniline
SMILESCC(F)(c1cccc(N)c1)C1CCCC1
InChIInChI=1S/C13H18FN/c1-13(14,10-5-2-3-6-10)11-7-4-8-12(15)9-11/h4,7-10H,2-3,5-6,15H2,1H3
InChIKeyAJLLNHZNJGFGGU-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.64
Rot. Bonds2

About 3-(1-cyclopentyl-1-fluoroethyl)aniline

3-(1-cyclopentyl-1-fluoroethyl)aniline (PubChem CID 115025375) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-(1-cyclopentyl-1-fluoroethyl)aniline.

Molecular Properties

Compound Name3-(1-cyclopentyl-1-fluoroethyl)aniline
PubChem CID115025375
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name3-(1-cyclopentyl-1-fluoroethyl)aniline
SMILESCC(F)(c1cccc(N)c1)C1CCCC1
InChIInChI=1S/C13H18FN/c1-13(14,10-5-2-3-6-10)11-7-4-8-12(15)9-11/h4,7-10H,2-3,5-6,15H2,1H3
InChIKeyAJLLNHZNJGFGGU-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[1-fluoro-1-(oxan-3-yl)ethyl]aniline
CID 115033997
3-[cyclohexyl(difluoro)methyl]aniline
CID 116840035
3-[cyclopropyl(difluoro)methyl]aniline
CID 83855657
4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
CID 84724888
3-tert-butylaniline;hydrobromide
CID 155928054
2-(1-cyclopentyl-1-fluoroethyl)aniline
CID 115025381
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
1-(3-aminophenyl)-1-piperidin-4-ylethanol
CID 115032215
3-tert-butylaniline;tert-butylbenzene
CID 158494400
2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
CID 84722501
1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol
CID 115025222
3-(1-fluoro-2-methylpropan-2-yl)aniline
CID 105433528

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyl-1-fluoroethyl)aniline?
The IUPAC name of 3-(1-cyclopentyl-1-fluoroethyl)aniline (CID 115025375) is 3-(1-cyclopentyl-1-fluoroethyl)aniline.
What is the SMILES notation for 3-(1-cyclopentyl-1-fluoroethyl)aniline?
The canonical SMILES for 3-(1-cyclopentyl-1-fluoroethyl)aniline is CC(F)(c1cccc(N)c1)C1CCCC1.
What is the InChIKey of 3-(1-cyclopentyl-1-fluoroethyl)aniline?
The InChIKey is AJLLNHZNJGFGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-13(14,10-5-2-3-6-10)11-7-4-8-12(15)9-11/h4,7-10H,2-3,5-6,15H2,1H3.
What are the key properties of 3-(1-cyclopentyl-1-fluoroethyl)aniline?
3-(1-cyclopentyl-1-fluoroethyl)aniline has a molecular weight of 207.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyl-1-fluoroethyl)aniline is sourced from PubChem (CID 115025375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).