2-(2,5-dimethylphenoxy)-6-fluoroaniline

C14H14FNO — CID 54920394

IUPAC2-(2,5-dimethylphenoxy)-6-fluoroaniline
SMILESCc1ccc(C)c(Oc2cccc(F)c2N)c1
InChIInChI=1S/C14H14FNO/c1-9-6-7-10(2)13(8-9)17-12-5-3-4-11(15)14(12)16/h3-8H,16H2,1-2H3
InChIKeyKXEJVQBEAAVVRD-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.82
Rot. Bonds2

About 2-(2,5-dimethylphenoxy)-6-fluoroaniline

2-(2,5-dimethylphenoxy)-6-fluoroaniline (PubChem CID 54920394) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-6-fluoroaniline.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-6-fluoroaniline
PubChem CID54920394
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-(2,5-dimethylphenoxy)-6-fluoroaniline
SMILESCc1ccc(C)c(Oc2cccc(F)c2N)c1
InChIInChI=1S/C14H14FNO/c1-9-6-7-10(2)13(8-9)17-12-5-3-4-11(15)14(12)16/h3-8H,16H2,1-2H3
InChIKeyKXEJVQBEAAVVRD-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.82
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-tert-butyl-5-methylphenoxy)-6-fluoroaniline
CID 60789578
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
CID 79511660
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
2-(2-fluorophenoxy)-6-methylaniline
CID 20513508
2-(2,5-dimethylphenoxy)-3-methylaniline
CID 115550838
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline
CID 60789943
2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide
CID 63674918

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-6-fluoroaniline?
The IUPAC name of 2-(2,5-dimethylphenoxy)-6-fluoroaniline (CID 54920394) is 2-(2,5-dimethylphenoxy)-6-fluoroaniline.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-6-fluoroaniline?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-6-fluoroaniline is Cc1ccc(C)c(Oc2cccc(F)c2N)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-6-fluoroaniline?
The InChIKey is KXEJVQBEAAVVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-6-7-10(2)13(8-9)17-12-5-3-4-11(15)14(12)16/h3-8H,16H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-6-fluoroaniline?
2-(2,5-dimethylphenoxy)-6-fluoroaniline has a molecular weight of 231.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-6-fluoroaniline is sourced from PubChem (CID 54920394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).