N-(1-ethoxycyclopropyl)-4-fluoroaniline

C11H14FNO — CID 123477399

IUPACN-(1-ethoxycyclopropyl)-4-fluoroaniline
SMILESCCOC1(Nc2ccc(F)cc2)CC1
InChIInChI=1S/C11H14FNO/c1-2-14-11(7-8-11)13-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3
InChIKeyHLOGPHGSJCIJNR-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.76
Rot. Bonds4

About N-(1-ethoxycyclopropyl)-4-fluoroaniline

N-(1-ethoxycyclopropyl)-4-fluoroaniline (PubChem CID 123477399) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(1-ethoxycyclopropyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(1-ethoxycyclopropyl)-4-fluoroaniline
PubChem CID123477399
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC NameN-(1-ethoxycyclopropyl)-4-fluoroaniline
SMILESCCOC1(Nc2ccc(F)cc2)CC1
InChIInChI=1S/C11H14FNO/c1-2-14-11(7-8-11)13-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3
InChIKeyHLOGPHGSJCIJNR-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-ethoxycyclopropyl)-4-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 N-(1-ethoxycyclopropyl)-4-fluoroaniline?
The IUPAC name of N-(1-ethoxycyclopropyl)-4-fluoroaniline (CID 123477399) is N-(1-ethoxycyclopropyl)-4-fluoroaniline.
What is the SMILES notation for N-(1-ethoxycyclopropyl)-4-fluoroaniline?
The canonical SMILES for N-(1-ethoxycyclopropyl)-4-fluoroaniline is CCOC1(Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(1-ethoxycyclopropyl)-4-fluoroaniline?
The InChIKey is HLOGPHGSJCIJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-14-11(7-8-11)13-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3.
What are the key properties of N-(1-ethoxycyclopropyl)-4-fluoroaniline?
N-(1-ethoxycyclopropyl)-4-fluoroaniline has a molecular weight of 195.24 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxycyclopropyl)-4-fluoroaniline is sourced from PubChem (CID 123477399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).