3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide

C11H16FN3O — CID 77025677

IUPAC3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
SMILESNC(CCNCCc1ccc(F)cc1)=NO
InChIInChI=1S/C11H16FN3O/c12-10-3-1-9(2-4-10)5-7-14-8-6-11(13)15-16/h1-4,14,16H,5-8H2,(H2,13,15)
InChIKeyFAHSPMLYCHPDRX-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.09
Rot. Bonds6

About 3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide

3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide (PubChem CID 77025677) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
PubChem CID77025677
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
SMILESNC(CCNCCc1ccc(F)cc1)=NO
InChIInChI=1S/C11H16FN3O/c12-10-3-1-9(2-4-10)5-7-14-8-6-11(13)15-16/h1-4,14,16H,5-8H2,(H2,13,15)
InChIKeyFAHSPMLYCHPDRX-UHFFFAOYSA-N
XLogP1.09
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide (CID 77025677) is 3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide is NC(CCNCCc1ccc(F)cc1)=NO.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is FAHSPMLYCHPDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c12-10-3-1-9(2-4-10)5-7-14-8-6-11(13)15-16/h1-4,14,16H,5-8H2,(H2,13,15).
What are the key properties of 3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide?
3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 225.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77025677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).