2-(2,5-difluorophenoxy)-3-methylaniline

C13H11F2NO — CID 115550961

IUPAC2-(2,5-difluorophenoxy)-3-methylaniline
SMILESCc1cccc(N)c1Oc1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO/c1-8-3-2-4-11(16)13(8)17-12-7-9(14)5-6-10(12)15/h2-7H,16H2,1H3
InChIKeyLXXUWEDIDYSXFG-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.65
Rot. Bonds2

About 2-(2,5-difluorophenoxy)-3-methylaniline

2-(2,5-difluorophenoxy)-3-methylaniline (PubChem CID 115550961) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-3-methylaniline.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-3-methylaniline
PubChem CID115550961
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name2-(2,5-difluorophenoxy)-3-methylaniline
SMILESCc1cccc(N)c1Oc1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO/c1-8-3-2-4-11(16)13(8)17-12-7-9(14)5-6-10(12)15/h2-7H,16H2,1H3
InChIKeyLXXUWEDIDYSXFG-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-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061
2-(3-fluorophenoxy)-3-methylaniline
CID 115550847
2-(2-amino-6-methylphenoxy)-6-fluorobenzonitrile
CID 113333829
2-(2,5-dimethylphenoxy)-3-methylaniline
CID 115550838
2-(2-methoxyphenoxy)-3-methylaniline
CID 115550846
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102982925
2-(2-bromophenoxy)-3-methylaniline
CID 115550883
2-(2,5-difluorophenoxy)-5-methylaniline
CID 63269185
3-methyl-2-(2,4,5-trichlorophenoxy)aniline
CID 113333818
2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
CID 62376643
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-3-methylaniline?
The IUPAC name of 2-(2,5-difluorophenoxy)-3-methylaniline (CID 115550961) is 2-(2,5-difluorophenoxy)-3-methylaniline.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-3-methylaniline?
The canonical SMILES for 2-(2,5-difluorophenoxy)-3-methylaniline is Cc1cccc(N)c1Oc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenoxy)-3-methylaniline?
The InChIKey is LXXUWEDIDYSXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c1-8-3-2-4-11(16)13(8)17-12-7-9(14)5-6-10(12)15/h2-7H,16H2,1H3.
What are the key properties of 2-(2,5-difluorophenoxy)-3-methylaniline?
2-(2,5-difluorophenoxy)-3-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-(2,5-difluorophenoxy)-3-methylaniline is sourced from PubChem (CID 115550961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).