2-(2-ethylphenoxy)-4,6-difluoroaniline

C14H13F2NO — CID 113325409

IUPAC2-(2-ethylphenoxy)-4,6-difluoroaniline
SMILESCCc1ccccc1Oc1cc(F)cc(F)c1N
InChIInChI=1S/C14H13F2NO/c1-2-9-5-3-4-6-12(9)18-13-8-10(15)7-11(16)14(13)17/h3-8H,2,17H2,1H3
InChIKeyKAEZCKSVSOUMHM-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.90
Rot. Bonds3

About 2-(2-ethylphenoxy)-4,6-difluoroaniline

2-(2-ethylphenoxy)-4,6-difluoroaniline (PubChem CID 113325409) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-4,6-difluoroaniline.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-4,6-difluoroaniline
PubChem CID113325409
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-(2-ethylphenoxy)-4,6-difluoroaniline
SMILESCCc1ccccc1Oc1cc(F)cc(F)c1N
InChIInChI=1S/C14H13F2NO/c1-2-9-5-3-4-6-12(9)18-13-8-10(15)7-11(16)14(13)17/h3-8H,2,17H2,1H3
InChIKeyKAEZCKSVSOUMHM-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.90
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-amino-3,5-difluorophenoxy)phenyl]methanol
CID 113325423
2,4-difluoro-6-(2-methoxyphenoxy)aniline
CID 115507261
2,4-difluoro-6-naphthalen-1-yloxyaniline
CID 115507262
4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline
CID 114089148
2,4-difluoro-6-(4-fluorophenoxy)aniline
CID 113325387
4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
CID 43173845
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361
4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide
CID 43658562
1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63802310
4-(2-ethylphenoxy)-3,5-difluorobenzonitrile
CID 81282911
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline
CID 115507250
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-4,6-difluoroaniline?
The IUPAC name of 2-(2-ethylphenoxy)-4,6-difluoroaniline (CID 113325409) is 2-(2-ethylphenoxy)-4,6-difluoroaniline.
What is the SMILES notation for 2-(2-ethylphenoxy)-4,6-difluoroaniline?
The canonical SMILES for 2-(2-ethylphenoxy)-4,6-difluoroaniline is CCc1ccccc1Oc1cc(F)cc(F)c1N.
What is the InChIKey of 2-(2-ethylphenoxy)-4,6-difluoroaniline?
The InChIKey is KAEZCKSVSOUMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-2-9-5-3-4-6-12(9)18-13-8-10(15)7-11(16)14(13)17/h3-8H,2,17H2,1H3.
What are the key properties of 2-(2-ethylphenoxy)-4,6-difluoroaniline?
2-(2-ethylphenoxy)-4,6-difluoroaniline has a molecular weight of 249.26 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-4,6-difluoroaniline is sourced from PubChem (CID 113325409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).