2-(2,4-difluorophenoxy)-4-methylaniline

C13H11F2NO — CID 10105468

IUPAC2-(2,4-difluorophenoxy)-4-methylaniline
SMILESCc1ccc(N)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C13H11F2NO/c1-8-2-4-11(16)13(6-8)17-12-5-3-9(14)7-10(12)15/h2-7H,16H2,1H3
InChIKeyDLLGUZNDNXIMAD-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.65
Rot. Bonds2

About 2-(2,4-difluorophenoxy)-4-methylaniline

2-(2,4-difluorophenoxy)-4-methylaniline (PubChem CID 10105468) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-4-methylaniline.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-4-methylaniline
PubChem CID10105468
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name2-(2,4-difluorophenoxy)-4-methylaniline
SMILESCc1ccc(N)c(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C13H11F2NO/c1-8-2-4-11(16)13(6-8)17-12-5-3-9(14)7-10(12)15/h2-7H,16H2,1H3
InChIKeyDLLGUZNDNXIMAD-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.65
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-(4-fluorophenoxy)-4-methylaniline
CID 26189590
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
2-(2,5-difluorophenoxy)-5-methylaniline
CID 63269185
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313
1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene
CID 114054766
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349
N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide
CID 10358200
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
2-(4-tert-butyl-2-methylphenoxy)-4-fluoroaniline
CID 63457104

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-4-methylaniline?
The IUPAC name of 2-(2,4-difluorophenoxy)-4-methylaniline (CID 10105468) is 2-(2,4-difluorophenoxy)-4-methylaniline.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-4-methylaniline?
The canonical SMILES for 2-(2,4-difluorophenoxy)-4-methylaniline is Cc1ccc(N)c(Oc2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-4-methylaniline?
The InChIKey is DLLGUZNDNXIMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c1-8-2-4-11(16)13(6-8)17-12-5-3-9(14)7-10(12)15/h2-7H,16H2,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-4-methylaniline?
2-(2,4-difluorophenoxy)-4-methylaniline has a molecular weight of 235.23 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-4-methylaniline is sourced from PubChem (CID 10105468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).