2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide

C10H14FN3O — CID 76873732

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)Cc1ccccc1F
InChIInChI=1S/C10H14FN3O/c1-14(7-10(12)13-15)6-8-4-2-3-5-9(8)11/h2-5,15H,6-7H2,1H3,(H2,12,13)
InChIKeyPXIHUOZNNNUZQH-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.00
Rot. Bonds4

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

2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide (PubChem CID 76873732) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
PubChem CID76873732
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)Cc1ccccc1F
InChIInChI=1S/C10H14FN3O/c1-14(7-10(12)13-15)6-8-4-2-3-5-9(8)11/h2-5,15H,6-7H2,1H3,(H2,12,13)
InChIKeyPXIHUOZNNNUZQH-UHFFFAOYSA-N
XLogP1.00
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.00
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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Related Compounds

3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76928893
2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883138
N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 77044509
2-amino-1-[(2-fluorophenyl)methyl]-1-methylguanidine
CID 77053904
2-[(3-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 103038141
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
CID 76979744
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512
N'-hydroxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]ethanimidamide
CID 79267709
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide (CID 76873732) is 2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide is CN(CC(N)=NO)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
The InChIKey is PXIHUOZNNNUZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-14(7-10(12)13-15)6-8-4-2-3-5-9(8)11/h2-5,15H,6-7H2,1H3,(H2,12,13).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide?
2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide has a molecular weight of 211.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76873732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).