4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline

C14H13ClFNO — CID 114089148

IUPAC4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline
SMILESCCc1ccccc1Oc1cc(Cl)c(F)cc1N
InChIInChI=1S/C14H13ClFNO/c1-2-9-5-3-4-6-13(9)18-14-7-10(15)11(16)8-12(14)17/h3-8H,2,17H2,1H3
InChIKeyJBSCDASJDWPPRP-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.42
Rot. Bonds3

About 4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline

4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline (PubChem CID 114089148) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline.

Molecular Properties

Compound Name4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline
PubChem CID114089148
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline
SMILESCCc1ccccc1Oc1cc(Cl)c(F)cc1N
InChIInChI=1S/C14H13ClFNO/c1-2-9-5-3-4-6-13(9)18-14-7-10(15)11(16)8-12(14)17/h3-8H,2,17H2,1H3
InChIKeyJBSCDASJDWPPRP-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylphenoxy)-4,6-difluoroaniline
CID 113325409
5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
CID 66076535
5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
CID 66078879
5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
CID 66077323
4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
CID 43173845
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
1-bromo-4-chloro-2-(2-ethylphenoxy)benzene
CID 90971991
[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol
CID 116736523
1-[4-chloro-2-(2-ethylphenoxy)phenyl]butan-2-amine
CID 114863092
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline?
The IUPAC name of 4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline (CID 114089148) is 4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline.
What is the SMILES notation for 4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline?
The canonical SMILES for 4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline is CCc1ccccc1Oc1cc(Cl)c(F)cc1N.
What is the InChIKey of 4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline?
The InChIKey is JBSCDASJDWPPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-2-9-5-3-4-6-13(9)18-14-7-10(15)11(16)8-12(14)17/h3-8H,2,17H2,1H3.
What are the key properties of 4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline?
4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline has a molecular weight of 265.72 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline is sourced from PubChem (CID 114089148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).