4-[(3-chlorophenyl)methoxy]-3-fluoroaniline

C13H11ClFNO — CID 43259333

IUPAC4-[(3-chlorophenyl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C13H11ClFNO/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(16)7-12(13)15/h1-7H,8,16H2
InChIKeyZTOUWKXNMTVMPO-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.64
Rot. Bonds3

About 4-[(3-chlorophenyl)methoxy]-3-fluoroaniline

4-[(3-chlorophenyl)methoxy]-3-fluoroaniline (PubChem CID 43259333) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-3-fluoroaniline
PubChem CID43259333
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name4-[(3-chlorophenyl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C13H11ClFNO/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(16)7-12(13)15/h1-7H,8,16H2
InChIKeyZTOUWKXNMTVMPO-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3-chlorophenyl)methoxy]-3-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 4-[(3-chlorophenyl)methoxy]-3-fluoroaniline?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-3-fluoroaniline (CID 43259333) is 4-[(3-chlorophenyl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-3-fluoroaniline?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-3-fluoroaniline is Nc1ccc(OCc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-3-fluoroaniline?
The InChIKey is ZTOUWKXNMTVMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(16)7-12(13)15/h1-7H,8,16H2.
What are the key properties of 4-[(3-chlorophenyl)methoxy]-3-fluoroaniline?
4-[(3-chlorophenyl)methoxy]-3-fluoroaniline has a molecular weight of 251.69 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 43259333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).