2-(4-chloro-3-methylphenoxy)-5-fluoroaniline

C13H11ClFNO — CID 26189668

IUPAC2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
SMILESCc1cc(Oc2ccc(F)cc2N)ccc1Cl
InChIInChI=1S/C13H11ClFNO/c1-8-6-10(3-4-11(8)14)17-13-5-2-9(15)7-12(13)16/h2-7H,16H2,1H3
InChIKeyMSIJXMBOMSOSPY-UHFFFAOYSA-N
MW251.69 g/mol
LogP4.16
Rot. Bonds2

About 2-(4-chloro-3-methylphenoxy)-5-fluoroaniline

2-(4-chloro-3-methylphenoxy)-5-fluoroaniline (PubChem CID 26189668) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-5-fluoroaniline.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
PubChem CID26189668
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
SMILESCc1cc(Oc2ccc(F)cc2N)ccc1Cl
InChIInChI=1S/C13H11ClFNO/c1-8-6-10(3-4-11(8)14)17-13-5-2-9(15)7-12(13)16/h2-7H,16H2,1H3
InChIKeyMSIJXMBOMSOSPY-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-3-methylphenoxy)-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

Related Compounds

2-(4-chlorophenoxy)-5-fluoroaniline
CID 26189667
4-bromo-2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 116736446
2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline
CID 113325400
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
2-(4-chloro-3-fluorophenoxy)-5-methylaniline
CID 82716538
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
5-fluoro-2-(4-methylsulfanylphenoxy)aniline
CID 63649631
N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314070
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid
CID 83214998

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-5-fluoroaniline?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-5-fluoroaniline (CID 26189668) is 2-(4-chloro-3-methylphenoxy)-5-fluoroaniline.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-5-fluoroaniline?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-5-fluoroaniline is Cc1cc(Oc2ccc(F)cc2N)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-5-fluoroaniline?
The InChIKey is MSIJXMBOMSOSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-8-6-10(3-4-11(8)14)17-13-5-2-9(15)7-12(13)16/h2-7H,16H2,1H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-5-fluoroaniline?
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline has a molecular weight of 251.69 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-5-fluoroaniline is sourced from PubChem (CID 26189668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).