2-cyclopentyloxy-4-fluoroaniline

C11H14FNO — CID 16783735

IUPAC2-cyclopentyloxy-4-fluoroaniline
SMILESNc1ccc(F)cc1OC1CCCC1
InChIInChI=1S/C11H14FNO/c12-8-5-6-10(13)11(7-8)14-9-3-1-2-4-9/h5-7,9H,1-4,13H2
InChIKeyOZKPFCQCDYGDBH-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.73
Rot. Bonds2

About 2-cyclopentyloxy-4-fluoroaniline

2-cyclopentyloxy-4-fluoroaniline (PubChem CID 16783735) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-cyclopentyloxy-4-fluoroaniline.

Molecular Properties

Compound Name2-cyclopentyloxy-4-fluoroaniline
PubChem CID16783735
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-cyclopentyloxy-4-fluoroaniline
SMILESNc1ccc(F)cc1OC1CCCC1
InChIInChI=1S/C11H14FNO/c12-8-5-6-10(13)11(7-8)14-9-3-1-2-4-9/h5-7,9H,1-4,13H2
InChIKeyOZKPFCQCDYGDBH-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-4-fluoroaniline?
The IUPAC name of 2-cyclopentyloxy-4-fluoroaniline (CID 16783735) is 2-cyclopentyloxy-4-fluoroaniline.
What is the SMILES notation for 2-cyclopentyloxy-4-fluoroaniline?
The canonical SMILES for 2-cyclopentyloxy-4-fluoroaniline is Nc1ccc(F)cc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-4-fluoroaniline?
The InChIKey is OZKPFCQCDYGDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-8-5-6-10(13)11(7-8)14-9-3-1-2-4-9/h5-7,9H,1-4,13H2.
What are the key properties of 2-cyclopentyloxy-4-fluoroaniline?
2-cyclopentyloxy-4-fluoroaniline has a molecular weight of 195.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-4-fluoroaniline is sourced from PubChem (CID 16783735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).