2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide

C15H15FN2O2 — CID 79523185

IUPAC2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Oc1cccc(COC)c1
InChIInChI=1S/C15H15FN2O2/c1-19-9-10-4-2-5-11(8-10)20-13-7-3-6-12(16)14(13)15(17)18/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyYFLLSQSFLWXTNW-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.05
Rot. Bonds5

About 2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide

2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide (PubChem CID 79523185) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
PubChem CID79523185
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Oc1cccc(COC)c1
InChIInChI=1S/C15H15FN2O2/c1-19-9-10-4-2-5-11(8-10)20-13-7-3-6-12(16)14(13)15(17)18/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyYFLLSQSFLWXTNW-UHFFFAOYSA-N
XLogP3.05
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79517922
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 43609327
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
2-fluoro-6-pyridin-3-yloxybenzenecarboximidamide
CID 79522129
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
2-[3-(methoxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 114769347
5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline
CID 107259906
2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide
CID 79017446
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-fluoro-6-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712612

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide (CID 79523185) is 2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1Oc1cccc(COC)c1.
What is the InChIKey of 2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide?
The InChIKey is YFLLSQSFLWXTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-19-9-10-4-2-5-11(8-10)20-13-7-3-6-12(16)14(13)15(17)18/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide?
2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide has a molecular weight of 274.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 79523185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).