2-(3-ethylazetidin-1-yl)-5-fluoroaniline

C11H15FN2 — CID 79689428

IUPAC2-(3-ethylazetidin-1-yl)-5-fluoroaniline
SMILESCCC1CN(c2ccc(F)cc2N)C1
InChIInChI=1S/C11H15FN2/c1-2-8-6-14(7-8)11-4-3-9(12)5-10(11)13/h3-5,8H,2,6-7,13H2,1H3
InChIKeyQZUFUUCGLOAVAF-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.25
Rot. Bonds2

About 2-(3-ethylazetidin-1-yl)-5-fluoroaniline

2-(3-ethylazetidin-1-yl)-5-fluoroaniline (PubChem CID 79689428) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(3-ethylazetidin-1-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(3-ethylazetidin-1-yl)-5-fluoroaniline
PubChem CID79689428
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-(3-ethylazetidin-1-yl)-5-fluoroaniline
SMILESCCC1CN(c2ccc(F)cc2N)C1
InChIInChI=1S/C11H15FN2/c1-2-8-6-14(7-8)11-4-3-9(12)5-10(11)13/h3-5,8H,2,6-7,13H2,1H3
InChIKeyQZUFUUCGLOAVAF-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-ethylazetidin-1-yl)-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-(3-ethylazetidin-1-yl)-5-fluoroaniline?
The IUPAC name of 2-(3-ethylazetidin-1-yl)-5-fluoroaniline (CID 79689428) is 2-(3-ethylazetidin-1-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(3-ethylazetidin-1-yl)-5-fluoroaniline?
The canonical SMILES for 2-(3-ethylazetidin-1-yl)-5-fluoroaniline is CCC1CN(c2ccc(F)cc2N)C1.
What is the InChIKey of 2-(3-ethylazetidin-1-yl)-5-fluoroaniline?
The InChIKey is QZUFUUCGLOAVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-2-8-6-14(7-8)11-4-3-9(12)5-10(11)13/h3-5,8H,2,6-7,13H2,1H3.
What are the key properties of 2-(3-ethylazetidin-1-yl)-5-fluoroaniline?
2-(3-ethylazetidin-1-yl)-5-fluoroaniline has a molecular weight of 194.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylazetidin-1-yl)-5-fluoroaniline is sourced from PubChem (CID 79689428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).