2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide

C12H18FN3O — CID 55140859

IUPAC2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C12H18FN3O/c1-8(10-6-4-5-7-11(10)13)16(3)9(2)12(14)15-17/h4-9,17H,1-3H3,(H2,14,15)
InChIKeyOPIMARKYJPKIQZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.95
Rot. Bonds4

About 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide

2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 55140859) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID55140859
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C12H18FN3O/c1-8(10-6-4-5-7-11(10)13)16(3)9(2)12(14)15-17/h4-9,17H,1-3H3,(H2,14,15)
InChIKeyOPIMARKYJPKIQZ-UHFFFAOYSA-N
XLogP1.95
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.95
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-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide (CID 55140859) is 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide is CC(/C(N)=N/O)N(C)C(C)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is OPIMARKYJPKIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8(10-6-4-5-7-11(10)13)16(3)9(2)12(14)15-17/h4-9,17H,1-3H3,(H2,14,15).
What are the key properties of 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide?
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 239.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 55140859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).