5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

C15H15FN2O2 — CID 107712610

IUPAC5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1ccccc1CCO
InChIInChI=1S/C15H15FN2O2/c16-11-5-6-14(12(9-11)15(17)18)20-13-4-2-1-3-10(13)7-8-19/h1-6,9,19H,7-8H2,(H3,17,18)
InChIKeyWODDYVNWZZMALZ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.44
Rot. Bonds5

About 5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (PubChem CID 107712610) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
PubChem CID107712610
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1ccccc1CCO
InChIInChI=1S/C15H15FN2O2/c16-11-5-6-14(12(9-11)15(17)18)20-13-4-2-1-3-10(13)7-8-19/h1-6,9,19H,7-8H2,(H3,17,18)
InChIKeyWODDYVNWZZMALZ-UHFFFAOYSA-N
XLogP2.44
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.44
H-Bond Donors ≤ 53
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-6-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712612
3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide
CID 107712652
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712613
2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 63653288
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743256
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
2-(3-bromophenoxy)-5-fluorobenzenecarboximidamide
CID 63668840
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
CID 103174866
2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide
CID 107658452
2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
CID 81332304
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (CID 107712610) is 5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Oc1ccccc1CCO.
What is the InChIKey of 5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The InChIKey is WODDYVNWZZMALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-5-6-14(12(9-11)15(17)18)20-13-4-2-1-3-10(13)7-8-19/h1-6,9,19H,7-8H2,(H3,17,18).
What are the key properties of 5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide has a molecular weight of 274.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 107712610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).