2-ethoxy-6-(4-fluorophenoxy)aniline

C14H14FNO2 — CID 113392806

IUPAC2-ethoxy-6-(4-fluorophenoxy)aniline
SMILESCCOc1cccc(Oc2ccc(F)cc2)c1N
InChIInChI=1S/C14H14FNO2/c1-2-17-12-4-3-5-13(14(12)16)18-11-8-6-10(15)7-9-11/h3-9H,2,16H2,1H3
InChIKeyMTGHUEJJXQGKBM-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.60
Rot. Bonds4

About 2-ethoxy-6-(4-fluorophenoxy)aniline

2-ethoxy-6-(4-fluorophenoxy)aniline (PubChem CID 113392806) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-ethoxy-6-(4-fluorophenoxy)aniline.

Molecular Properties

Compound Name2-ethoxy-6-(4-fluorophenoxy)aniline
PubChem CID113392806
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-ethoxy-6-(4-fluorophenoxy)aniline
SMILESCCOc1cccc(Oc2ccc(F)cc2)c1N
InChIInChI=1S/C14H14FNO2/c1-2-17-12-4-3-5-13(14(12)16)18-11-8-6-10(15)7-9-11/h3-9H,2,16H2,1H3
InChIKeyMTGHUEJJXQGKBM-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-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline
CID 116792382
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
3-(2-amino-3-ethoxyphenoxy)-5-methoxybenzonitrile
CID 103566387
3-ethoxy-2-propan-2-ylaniline
CID 154678316
8-(4-ethoxyphenoxy)quinolin-4-amine
CID 62191521
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
2-butoxy-6-fluoroaniline
CID 60790205
2-amino-3-ethoxybenzonitrile
CID 82014474
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline
CID 102980299
ethyl 3-amino-2-(4-fluorophenoxy)benzoate
CID 115935610
(2-amino-3-ethoxyphenyl)boronic acid
CID 68788606

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(4-fluorophenoxy)aniline?
The IUPAC name of 2-ethoxy-6-(4-fluorophenoxy)aniline (CID 113392806) is 2-ethoxy-6-(4-fluorophenoxy)aniline.
What is the SMILES notation for 2-ethoxy-6-(4-fluorophenoxy)aniline?
The canonical SMILES for 2-ethoxy-6-(4-fluorophenoxy)aniline is CCOc1cccc(Oc2ccc(F)cc2)c1N.
What is the InChIKey of 2-ethoxy-6-(4-fluorophenoxy)aniline?
The InChIKey is MTGHUEJJXQGKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-2-17-12-4-3-5-13(14(12)16)18-11-8-6-10(15)7-9-11/h3-9H,2,16H2,1H3.
What are the key properties of 2-ethoxy-6-(4-fluorophenoxy)aniline?
2-ethoxy-6-(4-fluorophenoxy)aniline 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-ethoxy-6-(4-fluorophenoxy)aniline is sourced from PubChem (CID 113392806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).