5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline

C15H16FNO3 — CID 107259906

IUPAC5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline
SMILESCOCc1cccc(Oc2cc(OC)c(N)cc2F)c1
InChIInChI=1S/C15H16FNO3/c1-18-9-10-4-3-5-11(6-10)20-14-8-15(19-2)13(17)7-12(14)16/h3-8H,9,17H2,1-2H3
InChIKeyVJOXMKYFPSKIGS-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.36
Rot. Bonds5

About 5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline

5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline (PubChem CID 107259906) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline
PubChem CID107259906
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline
SMILESCOCc1cccc(Oc2cc(OC)c(N)cc2F)c1
InChIInChI=1S/C15H16FNO3/c1-18-9-10-4-3-5-11(6-10)20-14-8-15(19-2)13(17)7-12(14)16/h3-8H,9,17H2,1-2H3
InChIKeyVJOXMKYFPSKIGS-UHFFFAOYSA-N
XLogP3.36
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.36
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-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
CID 63986344
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895
[3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol
CID 63593072
2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79517922
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79523185
2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
CID 63599666
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
4-[3-(methoxymethyl)phenoxy]quinolin-8-amine
CID 83066383

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline?
The IUPAC name of 5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline (CID 107259906) is 5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline?
The canonical SMILES for 5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline is COCc1cccc(Oc2cc(OC)c(N)cc2F)c1.
What is the InChIKey of 5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline?
The InChIKey is VJOXMKYFPSKIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-18-9-10-4-3-5-11(6-10)20-14-8-15(19-2)13(17)7-12(14)16/h3-8H,9,17H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline?
5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline has a molecular weight of 277.30 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline is sourced from PubChem (CID 107259906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).