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

C13H11F2NO — CID 63269185

IUPAC2-(2,5-difluorophenoxy)-5-methylaniline
SMILESCc1ccc(Oc2cc(F)ccc2F)c(N)c1
InChIInChI=1S/C13H11F2NO/c1-8-2-5-12(11(16)6-8)17-13-7-9(14)3-4-10(13)15/h2-7H,16H2,1H3
InChIKeyQAGYCFVCHUBAHT-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.65
Rot. Bonds2

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

2-(2,5-difluorophenoxy)-5-methylaniline (PubChem CID 63269185) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-5-methylaniline.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-5-methylaniline
PubChem CID63269185
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name2-(2,5-difluorophenoxy)-5-methylaniline
SMILESCc1ccc(Oc2cc(F)ccc2F)c(N)c1
InChIInChI=1S/C13H11F2NO/c1-8-2-5-12(11(16)6-8)17-13-7-9(14)3-4-10(13)15/h2-7H,16H2,1H3
InChIKeyQAGYCFVCHUBAHT-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-(2-fluoro-5-methylphenoxy)-5-iodoaniline
CID 66080579
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
2-(2,4-difluorophenoxy)-4-methylaniline
CID 10105468
2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
CID 114054339
methyl 3-amino-4-(2,5-difluorophenoxy)benzoate
CID 63269620
3-amino-4-(2,5-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992739
5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
2-(3-bromo-4-fluorophenoxy)-5-methylaniline
CID 83231708
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259
2-(2,5-difluorophenoxy)-3-methylaniline
CID 115550961

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-5-methylaniline?
The IUPAC name of 2-(2,5-difluorophenoxy)-5-methylaniline (CID 63269185) is 2-(2,5-difluorophenoxy)-5-methylaniline.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-5-methylaniline?
The canonical SMILES for 2-(2,5-difluorophenoxy)-5-methylaniline is Cc1ccc(Oc2cc(F)ccc2F)c(N)c1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-5-methylaniline?
The InChIKey is QAGYCFVCHUBAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c1-8-2-5-12(11(16)6-8)17-13-7-9(14)3-4-10(13)15/h2-7H,16H2,1H3.
What are the key properties of 2-(2,5-difluorophenoxy)-5-methylaniline?
2-(2,5-difluorophenoxy)-5-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)-5-methylaniline is sourced from PubChem (CID 63269185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).