2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide

C11H16FN3O — CID 76915219

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FN3O/c1-8(11(13)14-16)15(2)7-9-3-5-10(12)6-4-9/h3-6,8,16H,7H2,1-2H3,(H2,13,14)
InChIKeyLQGSKYWDWFYRRE-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.39
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide

2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 76915219) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID76915219
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FN3O/c1-8(11(13)14-16)15(2)7-9-3-5-10(12)6-4-9/h3-6,8,16H,7H2,1-2H3,(H2,13,14)
InChIKeyLQGSKYWDWFYRRE-UHFFFAOYSA-N
XLogP1.39
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.39
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': 'oxime_1', '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 2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide (CID 76915219) is 2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is LQGSKYWDWFYRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(11(13)14-16)15(2)7-9-3-5-10(12)6-4-9/h3-6,8,16H,7H2,1-2H3,(H2,13,14).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 225.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76915219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).