3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline

C14H13F2NO2 — CID 166073795

IUPAC3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline
SMILESCOc1c(N)cc(COc2cccc(F)c2)cc1F
InChIInChI=1S/C14H13F2NO2/c1-18-14-12(16)5-9(6-13(14)17)8-19-11-4-2-3-10(15)7-11/h2-7H,8,17H2,1H3
InChIKeyUVROWWXIJILUIR-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.13
Rot. Bonds4

About 3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline

3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline (PubChem CID 166073795) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline
PubChem CID166073795
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline
SMILESCOc1c(N)cc(COc2cccc(F)c2)cc1F
InChIInChI=1S/C14H13F2NO2/c1-18-14-12(16)5-9(6-13(14)17)8-19-11-4-2-3-10(15)7-11/h2-7H,8,17H2,1H3
InChIKeyUVROWWXIJILUIR-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.13
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

1-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxy-3-nitrobenzene
CID 166073962
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine
CID 166073967
4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline
CID 117220300
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
2-[(3-fluorophenoxy)methyl]-3,4-dimethoxypyridine
CID 103174166
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
N-[3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074170
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494
2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189
3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
CID 43379359

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline?
The IUPAC name of 3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline (CID 166073795) is 3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline.
What is the SMILES notation for 3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline?
The canonical SMILES for 3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline is COc1c(N)cc(COc2cccc(F)c2)cc1F.
What is the InChIKey of 3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline?
The InChIKey is UVROWWXIJILUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-18-14-12(16)5-9(6-13(14)17)8-19-11-4-2-3-10(15)7-11/h2-7H,8,17H2,1H3.
What are the key properties of 3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline?
3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline has a molecular weight of 265.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline is sourced from PubChem (CID 166073795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).