2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide

C15H15FN2O2 — CID 107118184

IUPAC2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccc(CO)cc2)c1F
InChIInChI=1S/C15H15FN2O2/c16-14-11(2-1-3-13(14)15(17)18)9-20-12-6-4-10(8-19)5-7-12/h1-7,19H,8-9H2,(H3,17,18)
InChIKeyZQGSIDPKYFBCHD-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.18
Rot. Bonds5

About 2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide

2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide (PubChem CID 107118184) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
PubChem CID107118184
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccc(CO)cc2)c1F
InChIInChI=1S/C15H15FN2O2/c16-14-11(2-1-3-13(14)15(17)18)9-20-12-6-4-10(8-19)5-7-12/h1-7,19H,8-9H2,(H3,17,18)
InChIKeyZQGSIDPKYFBCHD-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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

5-fluoro-2-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 63291162
3-[(3-ethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118138
3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118238
3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118213
4-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658904
3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118102
4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 102856104
3-[(2,3-dimethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118135
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
3-[(4-ethylphenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107116034
2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 107118124

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide (CID 107118184) is 2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2ccc(CO)cc2)c1F.
What is the InChIKey of 2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide?
The InChIKey is ZQGSIDPKYFBCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-14-11(2-1-3-13(14)15(17)18)9-20-12-6-4-10(8-19)5-7-12/h1-7,19H,8-9H2,(H3,17,18).
What are the key properties of 2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide?
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide has a molecular weight of 274.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide is sourced from PubChem (CID 107118184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).