2-(4-ethoxyphenoxy)-5-fluoroaniline

C14H14FNO2 — CID 19627143

IUPAC2-(4-ethoxyphenoxy)-5-fluoroaniline
SMILESCCOc1ccc(Oc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H14FNO2/c1-2-17-11-4-6-12(7-5-11)18-14-8-3-10(15)9-13(14)16/h3-9H,2,16H2,1H3
InChIKeyVFOKANOHSGRCMK-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-ethoxyphenoxy)-5-fluoroaniline

2-(4-ethoxyphenoxy)-5-fluoroaniline (PubChem CID 19627143) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-5-fluoroaniline.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-5-fluoroaniline
PubChem CID19627143
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-(4-ethoxyphenoxy)-5-fluoroaniline
SMILESCCOc1ccc(Oc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H14FNO2/c1-2-17-11-4-6-12(7-5-11)18-14-8-3-10(15)9-13(14)16/h3-9H,2,16H2,1H3
InChIKeyVFOKANOHSGRCMK-UHFFFAOYSA-N
XLogP3.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.60
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-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
CID 26189675
2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
5-fluoro-2-(4-methylsulfanylphenoxy)aniline
CID 63649631
2-(4-chlorophenoxy)-5-fluoroaniline
CID 26189667
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
3-amino-4-(4-ethoxyphenoxy)benzamide
CID 43448507
2-(4-ethoxyphenoxy)-5-nitroaniline
CID 62506652
2-[(6-ethoxy-2-pyridinyl)oxy]-5-fluoroaniline
CID 63591138
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421
4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline
CID 63676750
3-amino-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
ethane;1-ethoxy-4-fluorobenzene
CID 143106824

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-5-fluoroaniline?
The IUPAC name of 2-(4-ethoxyphenoxy)-5-fluoroaniline (CID 19627143) is 2-(4-ethoxyphenoxy)-5-fluoroaniline.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-5-fluoroaniline?
The canonical SMILES for 2-(4-ethoxyphenoxy)-5-fluoroaniline is CCOc1ccc(Oc2ccc(F)cc2N)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-5-fluoroaniline?
The InChIKey is VFOKANOHSGRCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-2-17-11-4-6-12(7-5-11)18-14-8-3-10(15)9-13(14)16/h3-9H,2,16H2,1H3.
What are the key properties of 2-(4-ethoxyphenoxy)-5-fluoroaniline?
2-(4-ethoxyphenoxy)-5-fluoroaniline has a molecular weight of 247.27 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-5-fluoroaniline is sourced from PubChem (CID 19627143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).