2,4-difluoro-6-(2-methoxyphenoxy)aniline

C13H11F2NO2 — CID 115507261

IUPAC2,4-difluoro-6-(2-methoxyphenoxy)aniline
SMILESCOc1ccccc1Oc1cc(F)cc(F)c1N
InChIInChI=1S/C13H11F2NO2/c1-17-10-4-2-3-5-11(10)18-12-7-8(14)6-9(15)13(12)16/h2-7H,16H2,1H3
InChIKeyPLRICEFYYPOVEP-UHFFFAOYSA-N
MW251.23 g/mol
LogP3.35
Rot. Bonds3

About 2,4-difluoro-6-(2-methoxyphenoxy)aniline

2,4-difluoro-6-(2-methoxyphenoxy)aniline (PubChem CID 115507261) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 2,4-difluoro-6-(2-methoxyphenoxy)aniline.

Molecular Properties

Compound Name2,4-difluoro-6-(2-methoxyphenoxy)aniline
PubChem CID115507261
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name2,4-difluoro-6-(2-methoxyphenoxy)aniline
SMILESCOc1ccccc1Oc1cc(F)cc(F)c1N
InChIInChI=1S/C13H11F2NO2/c1-17-10-4-2-3-5-11(10)18-12-7-8(14)6-9(15)13(12)16/h2-7H,16H2,1H3
InChIKeyPLRICEFYYPOVEP-UHFFFAOYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylphenoxy)-4,6-difluoroaniline
CID 113325409
2,4-difluoro-6-naphthalen-1-yloxyaniline
CID 115507262
[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol
CID 113325423
2,4-difluoro-6-(4-fluorophenoxy)aniline
CID 113325387
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline
CID 115507250
1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene
CID 1380018
2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline
CID 113325400
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(2-methoxyphenoxy)aniline?
The IUPAC name of 2,4-difluoro-6-(2-methoxyphenoxy)aniline (CID 115507261) is 2,4-difluoro-6-(2-methoxyphenoxy)aniline.
What is the SMILES notation for 2,4-difluoro-6-(2-methoxyphenoxy)aniline?
The canonical SMILES for 2,4-difluoro-6-(2-methoxyphenoxy)aniline is COc1ccccc1Oc1cc(F)cc(F)c1N.
What is the InChIKey of 2,4-difluoro-6-(2-methoxyphenoxy)aniline?
The InChIKey is PLRICEFYYPOVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-17-10-4-2-3-5-11(10)18-12-7-8(14)6-9(15)13(12)16/h2-7H,16H2,1H3.
What are the key properties of 2,4-difluoro-6-(2-methoxyphenoxy)aniline?
2,4-difluoro-6-(2-methoxyphenoxy)aniline has a molecular weight of 251.23 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(2-methoxyphenoxy)aniline is sourced from PubChem (CID 115507261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).