2-(3-ethylphenoxy)-6-fluoroaniline

C14H14FNO — CID 54920607

IUPAC2-(3-ethylphenoxy)-6-fluoroaniline
SMILESCCc1cccc(Oc2cccc(F)c2N)c1
InChIInChI=1S/C14H14FNO/c1-2-10-5-3-6-11(9-10)17-13-8-4-7-12(15)14(13)16/h3-9H,2,16H2,1H3
InChIKeyARTUPGOEZNUPMI-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.76
Rot. Bonds3

About 2-(3-ethylphenoxy)-6-fluoroaniline

2-(3-ethylphenoxy)-6-fluoroaniline (PubChem CID 54920607) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-6-fluoroaniline.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-6-fluoroaniline
PubChem CID54920607
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-(3-ethylphenoxy)-6-fluoroaniline
SMILESCCc1cccc(Oc2cccc(F)c2N)c1
InChIInChI=1S/C14H14FNO/c1-2-10-5-3-6-11(9-10)17-13-8-4-7-12(15)14(13)16/h3-9H,2,16H2,1H3
InChIKeyARTUPGOEZNUPMI-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.76
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-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 43105896
2-(3-ethylphenoxy)-5-fluorobenzaldehyde
CID 43313054
(1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol
CID 78941434
2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200048
2-(3-ethylphenoxy)benzoyl bromide
CID 139662785
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63815753
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
2-(3-ethylphenoxy)ethyl 2-(2-fluorophenoxy)acetate
CID 55316441
1-[3-(2,5-difluorophenoxy)phenyl]butan-2-amine
CID 63944119
3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995318

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-6-fluoroaniline?
The IUPAC name of 2-(3-ethylphenoxy)-6-fluoroaniline (CID 54920607) is 2-(3-ethylphenoxy)-6-fluoroaniline.
What is the SMILES notation for 2-(3-ethylphenoxy)-6-fluoroaniline?
The canonical SMILES for 2-(3-ethylphenoxy)-6-fluoroaniline is CCc1cccc(Oc2cccc(F)c2N)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-6-fluoroaniline?
The InChIKey is ARTUPGOEZNUPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-2-10-5-3-6-11(9-10)17-13-8-4-7-12(15)14(13)16/h3-9H,2,16H2,1H3.
What are the key properties of 2-(3-ethylphenoxy)-6-fluoroaniline?
2-(3-ethylphenoxy)-6-fluoroaniline has a molecular weight of 231.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-6-fluoroaniline is sourced from PubChem (CID 54920607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).