N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide

C15H15FN2O — CID 9116988

IUPACN'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide
SMILESCc1ccccc1/C(N)=N\OCc1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c1-11-5-2-3-8-14(11)15(17)18-19-10-12-6-4-7-13(16)9-12/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyIGFPJPNKYPDMTA-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.97
Rot. Bonds4

About N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide

N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide (PubChem CID 9116988) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide
PubChem CID9116988
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide
SMILESCc1ccccc1/C(N)=N\OCc1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c1-11-5-2-3-8-14(11)15(17)18-19-10-12-6-4-7-13(16)9-12/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyIGFPJPNKYPDMTA-UHFFFAOYSA-N
XLogP2.97
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide?
The IUPAC name of N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide (CID 9116988) is N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide.
What is the SMILES notation for N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide?
The canonical SMILES for N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide is Cc1ccccc1/C(N)=N\OCc1cccc(F)c1.
What is the InChIKey of N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide?
The InChIKey is IGFPJPNKYPDMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11-5-2-3-8-14(11)15(17)18-19-10-12-6-4-7-13(16)9-12/h2-9H,10H2,1H3,(H2,17,18).
What are the key properties of N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide?
N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide has a molecular weight of 258.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide is sourced from PubChem (CID 9116988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).