2-(2,6-dimethoxyphenoxy)-4-fluoroaniline

C14H14FNO3 — CID 62376643

IUPAC2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
SMILESCOc1cccc(OC)c1Oc1cc(F)ccc1N
InChIInChI=1S/C14H14FNO3/c1-17-11-4-3-5-12(18-2)14(11)19-13-8-9(15)6-7-10(13)16/h3-8H,16H2,1-2H3
InChIKeyOEKQCYKHVOKSNW-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.22
Rot. Bonds4

About 2-(2,6-dimethoxyphenoxy)-4-fluoroaniline

2-(2,6-dimethoxyphenoxy)-4-fluoroaniline (PubChem CID 62376643) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
PubChem CID62376643
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
SMILESCOc1cccc(OC)c1Oc1cc(F)ccc1N
InChIInChI=1S/C14H14FNO3/c1-17-11-4-3-5-12(18-2)14(11)19-13-8-9(15)6-7-10(13)16/h3-8H,16H2,1-2H3
InChIKeyOEKQCYKHVOKSNW-UHFFFAOYSA-N
XLogP3.22
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768237
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840
2-(3-chlorophenoxy)-4-fluoroaniline
CID 62378026
2-(2,5-difluorophenoxy)-3-methylaniline
CID 115550961
4-(2-amino-5-fluorophenoxy)-3,5-difluorobenzonitrile
CID 81294672
4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540081
2-[(6-ethoxy-2-pyridinyl)oxy]-4-fluoroaniline
CID 63591670
4-fluoro-2-(3-methylsulfonylphenoxy)aniline
CID 62375952
4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline
CID 43525450
3-(2,6-dimethoxyphenoxy)aniline
CID 57089933

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenoxy)-4-fluoroaniline?
The IUPAC name of 2-(2,6-dimethoxyphenoxy)-4-fluoroaniline (CID 62376643) is 2-(2,6-dimethoxyphenoxy)-4-fluoroaniline.
What is the SMILES notation for 2-(2,6-dimethoxyphenoxy)-4-fluoroaniline?
The canonical SMILES for 2-(2,6-dimethoxyphenoxy)-4-fluoroaniline is COc1cccc(OC)c1Oc1cc(F)ccc1N.
What is the InChIKey of 2-(2,6-dimethoxyphenoxy)-4-fluoroaniline?
The InChIKey is OEKQCYKHVOKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-17-11-4-3-5-12(18-2)14(11)19-13-8-9(15)6-7-10(13)16/h3-8H,16H2,1-2H3.
What are the key properties of 2-(2,6-dimethoxyphenoxy)-4-fluoroaniline?
2-(2,6-dimethoxyphenoxy)-4-fluoroaniline has a molecular weight of 263.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenoxy)-4-fluoroaniline is sourced from PubChem (CID 62376643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).