5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide

C16H17FN2O — CID 63290769

IUPAC5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COC(C)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-11(12-5-3-2-4-6-12)20-10-13-7-8-14(17)9-15(13)16(18)19/h2-9,11H,10H2,1H3,(H3,18,19)
InChIKeyIDZDGTQOEKNKOT-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.39
Rot. Bonds5

About 5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide

5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide (PubChem CID 63290769) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide
PubChem CID63290769
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COC(C)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-11(12-5-3-2-4-6-12)20-10-13-7-8-14(17)9-15(13)16(18)19/h2-9,11H,10H2,1H3,(H3,18,19)
InChIKeyIDZDGTQOEKNKOT-UHFFFAOYSA-N
XLogP3.39
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide (CID 63290769) is 5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1COC(C)c1ccccc1.
What is the InChIKey of 5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide?
The InChIKey is IDZDGTQOEKNKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11(12-5-3-2-4-6-12)20-10-13-7-8-14(17)9-15(13)16(18)19/h2-9,11H,10H2,1H3,(H3,18,19).
What are the key properties of 5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide?
5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide has a molecular weight of 272.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-phenylethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 63290769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).