2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline

C13H17ClFN — CID 107527334

IUPAC2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline
SMILESCC1(C)CCCC1Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFN/c1-13(2)7-3-4-12(13)16-11-8-9(15)5-6-10(11)14/h5-6,8,12,16H,3-4,7H2,1-2H3
InChIKeyBZMGTCXTTFLTRZ-UHFFFAOYSA-N
MW241.74 g/mol
LogP4.47
Rot. Bonds2

About 2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline

2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline (PubChem CID 107527334) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline
PubChem CID107527334
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline
SMILESCC1(C)CCCC1Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFN/c1-13(2)7-3-4-12(13)16-11-8-9(15)5-6-10(11)14/h5-6,8,12,16H,3-4,7H2,1-2H3
InChIKeyBZMGTCXTTFLTRZ-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline?
The IUPAC name of 2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline (CID 107527334) is 2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline?
The canonical SMILES for 2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline is CC1(C)CCCC1Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline?
The InChIKey is BZMGTCXTTFLTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-13(2)7-3-4-12(13)16-11-8-9(15)5-6-10(11)14/h5-6,8,12,16H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline?
2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline has a molecular weight of 241.74 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline is sourced from PubChem (CID 107527334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).