4-(2,5-difluorophenoxy)-2-methylaniline

C13H11F2NO — CID 63268652

IUPAC4-(2,5-difluorophenoxy)-2-methylaniline
SMILESCc1cc(Oc2cc(F)ccc2F)ccc1N
InChIInChI=1S/C13H11F2NO/c1-8-6-10(3-5-12(8)16)17-13-7-9(14)2-4-11(13)15/h2-7H,16H2,1H3
InChIKeyRDLRDOBGKDEFKN-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.65
Rot. Bonds2

About 4-(2,5-difluorophenoxy)-2-methylaniline

4-(2,5-difluorophenoxy)-2-methylaniline (PubChem CID 63268652) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 4-(2,5-difluorophenoxy)-2-methylaniline.

Molecular Properties

Compound Name4-(2,5-difluorophenoxy)-2-methylaniline
PubChem CID63268652
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name4-(2,5-difluorophenoxy)-2-methylaniline
SMILESCc1cc(Oc2cc(F)ccc2F)ccc1N
InChIInChI=1S/C13H11F2NO/c1-8-6-10(3-5-12(8)16)17-13-7-9(14)2-4-11(13)15/h2-7H,16H2,1H3
InChIKeyRDLRDOBGKDEFKN-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

4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
CID 63269663
2-(4-bromo-3,5-dimethylphenoxy)-4-fluoroaniline
CID 107722631
4-(4-bromo-2-fluorophenoxy)-2-methylaniline
CID 43436412
4-(2,5-dichlorophenoxy)-2-methylaniline
CID 43436377
2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
CID 65203479
2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075
2-(2,5-difluorophenoxy)-3-methylaniline
CID 115550961
2-(2,5-difluorophenoxy)-5-methylaniline
CID 63269185
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenoxy)-2-methylaniline?
The IUPAC name of 4-(2,5-difluorophenoxy)-2-methylaniline (CID 63268652) is 4-(2,5-difluorophenoxy)-2-methylaniline.
What is the SMILES notation for 4-(2,5-difluorophenoxy)-2-methylaniline?
The canonical SMILES for 4-(2,5-difluorophenoxy)-2-methylaniline is Cc1cc(Oc2cc(F)ccc2F)ccc1N.
What is the InChIKey of 4-(2,5-difluorophenoxy)-2-methylaniline?
The InChIKey is RDLRDOBGKDEFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c1-8-6-10(3-5-12(8)16)17-13-7-9(14)2-4-11(13)15/h2-7H,16H2,1H3.
What are the key properties of 4-(2,5-difluorophenoxy)-2-methylaniline?
4-(2,5-difluorophenoxy)-2-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 4-(2,5-difluorophenoxy)-2-methylaniline is sourced from PubChem (CID 63268652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).