4-[(2-chlorophenyl)methoxy]-3-fluoroaniline

C13H11ClFNO — CID 28972732

IUPAC4-[(2-chlorophenyl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2ccccc2Cl)c(F)c1
InChIInChI=1S/C13H11ClFNO/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(16)7-12(13)15/h1-7H,8,16H2
InChIKeyWKURNJDSZRDGQB-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.64
Rot. Bonds3

About 4-[(2-chlorophenyl)methoxy]-3-fluoroaniline

4-[(2-chlorophenyl)methoxy]-3-fluoroaniline (PubChem CID 28972732) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-3-fluoroaniline
PubChem CID28972732
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name4-[(2-chlorophenyl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2ccccc2Cl)c(F)c1
InChIInChI=1S/C13H11ClFNO/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(16)7-12(13)15/h1-7H,8,16H2
InChIKeyWKURNJDSZRDGQB-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-fluoroaniline?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-fluoroaniline (CID 28972732) is 4-[(2-chlorophenyl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-3-fluoroaniline?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-3-fluoroaniline is Nc1ccc(OCc2ccccc2Cl)c(F)c1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-3-fluoroaniline?
The InChIKey is WKURNJDSZRDGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(16)7-12(13)15/h1-7H,8,16H2.
What are the key properties of 4-[(2-chlorophenyl)methoxy]-3-fluoroaniline?
4-[(2-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-[(2-chlorophenyl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 28972732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).