3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide

C16H18FN3O — CID 107116893

IUPAC3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cccc(C)c1NCc1cccc(/C(N)=N/O)c1F
InChIInChI=1S/C16H18FN3O/c1-10-5-3-6-11(2)15(10)19-9-12-7-4-8-13(14(12)17)16(18)20-21/h3-8,19,21H,9H2,1-2H3,(H2,18,20)
InChIKeySFNVVFDKAGGETE-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.15
Rot. Bonds4

About 3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide

3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107116893) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107116893
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCc1cccc(C)c1NCc1cccc(/C(N)=N/O)c1F
InChIInChI=1S/C16H18FN3O/c1-10-5-3-6-11(2)15(10)19-9-12-7-4-8-13(14(12)17)16(18)20-21/h3-8,19,21H,9H2,1-2H3,(H2,18,20)
InChIKeySFNVVFDKAGGETE-UHFFFAOYSA-N
XLogP3.15
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.15
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

2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
3-[(4-ethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116801
3-[(2,2-dimethylhydrazinyl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117354
2-fluoro-N'-hydroxy-3-[(prop-2-ynylamino)methyl]benzenecarboximidamide
CID 107116640
2-fluoro-N'-hydroxy-3-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 107117509
3-[[2-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2,2-dimethylpropanamide
CID 106277755
3-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117103
2-fluoro-N'-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 107116895
3-[(4-bromo-3-fluoroanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117163
2-fluoro-N'-hydroxy-3-[(1-phenylethylamino)methyl]benzenecarboximidamide
CID 107116649
3-[(2,3-dimethylphenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117609
3-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107463393

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide (CID 107116893) is 3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide is Cc1cccc(C)c1NCc1cccc(/C(N)=N/O)c1F.
What is the InChIKey of 3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is SFNVVFDKAGGETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10-5-3-6-11(2)15(10)19-9-12-7-4-8-13(14(12)17)16(18)20-21/h3-8,19,21H,9H2,1-2H3,(H2,18,20).
What are the key properties of 3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 287.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107116893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).