5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide

C17H20FN3 — CID 65488750

IUPAC5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(C)CCc1ccccc1
InChIInChI=1S/C17H20FN3/c1-21(10-9-13-5-3-2-4-6-13)12-14-7-8-15(18)11-16(14)17(19)20/h2-8,11H,9-10,12H2,1H3,(H3,19,20)
InChIKeyLQUQXJUCGZUAHR-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.78
Rot. Bonds6

About 5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide

5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide (PubChem CID 65488750) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide
PubChem CID65488750
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(C)CCc1ccccc1
InChIInChI=1S/C17H20FN3/c1-21(10-9-13-5-3-2-4-6-13)12-14-7-8-15(18)11-16(14)17(19)20/h2-8,11H,9-10,12H2,1H3,(H3,19,20)
InChIKeyLQUQXJUCGZUAHR-UHFFFAOYSA-N
XLogP2.78
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.78
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-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide (CID 65488750) is 5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1CN(C)CCc1ccccc1.
What is the InChIKey of 5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is LQUQXJUCGZUAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-21(10-9-13-5-3-2-4-6-13)12-14-7-8-15(18)11-16(14)17(19)20/h2-8,11H,9-10,12H2,1H3,(H3,19,20).
What are the key properties of 5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide?
5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 285.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 65488750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).