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

C11H16FN3O — CID 77030267

IUPAC2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
SMILESCC(NCCc1cccc(F)c1)C(N)=NO
InChIInChI=1S/C11H16FN3O/c1-8(11(13)15-16)14-6-5-9-3-2-4-10(12)7-9/h2-4,7-8,14,16H,5-6H2,1H3,(H2,13,15)
InChIKeyZHKWMEXKFKSMAA-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.09
Rot. Bonds5

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

2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide (PubChem CID 77030267) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
PubChem CID77030267
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
SMILESCC(NCCc1cccc(F)c1)C(N)=NO
InChIInChI=1S/C11H16FN3O/c1-8(11(13)15-16)14-6-5-9-3-2-4-10(12)7-9/h2-4,7-8,14,16H,5-6H2,1H3,(H2,13,15)
InChIKeyZHKWMEXKFKSMAA-UHFFFAOYSA-N
XLogP1.09
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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': '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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Related Compounds

N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide
CID 77028641
ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
CID 55134787
N-[2-(3-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925067
2-[2-(3-fluorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 43401436
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N,N-diethyl-2-[2-(3-fluorophenyl)ethylamino]propanamide
CID 43420356
N-(ethylcarbamoyl)-2-[2-(3-fluorophenyl)ethylamino]propanamide
CID 43401425
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43777650
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide (CID 77030267) is 2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide is CC(NCCc1cccc(F)c1)C(N)=NO.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is ZHKWMEXKFKSMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(11(13)15-16)14-6-5-9-3-2-4-10(12)7-9/h2-4,7-8,14,16H,5-6H2,1H3,(H2,13,15).
What are the key properties of 2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide?
2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 225.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77030267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).