5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide

C15H15FN2O — CID 63290725

IUPAC5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COCc1ccccc1
InChIInChI=1S/C15H15FN2O/c16-13-7-6-12(14(8-13)15(17)18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H3,17,18)
InChIKeyFDPPYNFALMZLHN-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.83
Rot. Bonds5

About 5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide

5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide (PubChem CID 63290725) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide
PubChem CID63290725
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COCc1ccccc1
InChIInChI=1S/C15H15FN2O/c16-13-7-6-12(14(8-13)15(17)18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H3,17,18)
InChIKeyFDPPYNFALMZLHN-UHFFFAOYSA-N
XLogP2.83
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.83
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-(phenylmethoxymethyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide (CID 63290725) is 5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1COCc1ccccc1.
What is the InChIKey of 5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide?
The InChIKey is FDPPYNFALMZLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-13-7-6-12(14(8-13)15(17)18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H3,17,18).
What are the key properties of 5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide?
5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide has a molecular weight of 258.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(phenylmethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 63290725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).