2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide

C16H18FN3O — CID 114346077

IUPAC2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(F)ccc1CN(C)c1ccccc1/C(N)=N/O
InChIInChI=1S/C16H18FN3O/c1-11-9-13(17)8-7-12(11)10-20(2)15-6-4-3-5-14(15)16(18)19-21/h3-9,21H,10H2,1-2H3,(H2,18,19)
InChIKeyCWHNVTVKQBMICC-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.87
Rot. Bonds4

About 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide

2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 114346077) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID114346077
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(F)ccc1CN(C)c1ccccc1/C(N)=N/O
InChIInChI=1S/C16H18FN3O/c1-11-9-13(17)8-7-12(11)10-20(2)15-6-4-3-5-14(15)16(18)19-21/h3-9,21H,10H2,1-2H3,(H2,18,19)
InChIKeyCWHNVTVKQBMICC-UHFFFAOYSA-N
XLogP2.87
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.87
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'}

Analyze 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76929854
5-fluoro-2-[(3-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76994464
2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 107306598
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 61442073
2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
CID 76923932
3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666909
3-[(N,3-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116550
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
CID 114345876
3-[(N,4-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116552
N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide
CID 43294941

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide (CID 114346077) is 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide is Cc1cc(F)ccc1CN(C)c1ccccc1/C(N)=N/O.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is CWHNVTVKQBMICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11-9-13(17)8-7-12(11)10-20(2)15-6-4-3-5-14(15)16(18)19-21/h3-9,21H,10H2,1-2H3,(H2,18,19).
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 287.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114346077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).