3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide

C15H15FN2O2 — CID 110005979

IUPAC3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide
SMILESN/C(=N/OCc1ccc(CO)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O2/c16-14-3-1-2-13(8-14)15(17)18-20-10-12-6-4-11(9-19)5-7-12/h1-8,19H,9-10H2,(H2,17,18)
InChIKeyITKFXYNMVZBDFA-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.16
Rot. Bonds5

About 3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide

3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide (PubChem CID 110005979) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide
PubChem CID110005979
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide
SMILESN/C(=N/OCc1ccc(CO)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O2/c16-14-3-1-2-13(8-14)15(17)18-20-10-12-6-4-11(9-19)5-7-12/h1-8,19H,9-10H2,(H2,17,18)
InChIKeyITKFXYNMVZBDFA-UHFFFAOYSA-N
XLogP2.16
TPSA67.84 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 ≤ 52.16
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 76870977
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
3-[(Z)-N'-[[4-(2-methylpropyl)phenyl]methoxy]carbamimidoyl]benzoic acid
CID 142953494
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
CID 110005958
N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide
CID 47330986
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
CID 2479295
O-[[4-(hydroxymethyl)phenyl]methyl] benzenecarbothioate
CID 18930839
N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide
CID 20706457

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide (CID 110005979) is 3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide is N/C(=N/OCc1ccc(CO)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide?
The InChIKey is ITKFXYNMVZBDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-14-3-1-2-13(8-14)15(17)18-20-10-12-6-4-11(9-19)5-7-12/h1-8,19H,9-10H2,(H2,17,18).
What are the key properties of 3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide?
3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide has a molecular weight of 274.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide is sourced from PubChem (CID 110005979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).