5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline

C13H17BrFN — CID 63424276

IUPAC5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
SMILESCC(Nc1cc(Br)ccc1F)C1CCCC1
InChIInChI=1S/C13H17BrFN/c1-9(10-4-2-3-5-10)16-13-8-11(14)6-7-12(13)15/h6-10,16H,2-5H2,1H3
InChIKeyVCUVJWYKIBHAST-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.58
Rot. Bonds3

About 5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline

5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline (PubChem CID 63424276) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
PubChem CID63424276
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
SMILESCC(Nc1cc(Br)ccc1F)C1CCCC1
InChIInChI=1S/C13H17BrFN/c1-9(10-4-2-3-5-10)16-13-8-11(14)6-7-12(13)15/h6-10,16H,2-5H2,1H3
InChIKeyVCUVJWYKIBHAST-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline 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

2,5-dibromo-N-(1-cyclohexylethyl)aniline
CID 43789277
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43791142
5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline
CID 43555384
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746274
N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline
CID 55193341
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline
CID 63423744

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline?
The IUPAC name of 5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline (CID 63424276) is 5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline is CC(Nc1cc(Br)ccc1F)C1CCCC1.
What is the InChIKey of 5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline?
The InChIKey is VCUVJWYKIBHAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-9(10-4-2-3-5-10)16-13-8-11(14)6-7-12(13)15/h6-10,16H,2-5H2,1H3.
What are the key properties of 5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline?
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline has a molecular weight of 286.19 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline is sourced from PubChem (CID 63424276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).