3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide

C11H16FN3O — CID 77025358

IUPAC3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCc1ccc(F)cc1)C(N)=NO
InChIInChI=1S/C11H16FN3O/c1-8(11(13)15-16)6-14-7-9-2-4-10(12)5-3-9/h2-5,8,14,16H,6-7H2,1H3,(H2,13,15)
InChIKeyFUHTYZVOCBWVJJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.30
Rot. Bonds5

About 3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77025358) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77025358
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCc1ccc(F)cc1)C(N)=NO
InChIInChI=1S/C11H16FN3O/c1-8(11(13)15-16)6-14-7-9-2-4-10(12)5-3-9/h2-5,8,14,16H,6-7H2,1H3,(H2,13,15)
InChIKeyFUHTYZVOCBWVJJ-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide
CID 77032726
3-(2,4-difluoroanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77027484
1-[2-[(4-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294524
3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77029557
N'-hydroxy-2-methyl-3-[(2-methylphenyl)methylamino]propanimidamide
CID 77028415
3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77052059
3-(2-chloro-4-fluoroanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77027933
3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 55102286
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 43242616
4-[(4-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 115219892

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 77025358) is 3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CNCc1ccc(F)cc1)C(N)=NO.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is FUHTYZVOCBWVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(11(13)15-16)6-14-7-9-2-4-10(12)5-3-9/h2-5,8,14,16H,6-7H2,1H3,(H2,13,15).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 225.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77025358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).