(2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium

C11H16FN4+ — CID 123248387

IUPAC(2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium
SMILESC/N=C(\N)N(C)[N+](C)=Cc1ccccc1F
InChIInChI=1S/C11H16FN4/c1-14-11(13)16(3)15(2)8-9-6-4-5-7-10(9)12/h4-8H,1-3H3,(H2,13,14)/q+1
InChIKeyYQCQNHOKAIFPEC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.68
Rot. Bonds2

About (2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium

(2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium (PubChem CID 123248387) has the molecular formula C11H16FN4+ and a molecular weight of 223.28 g/mol. Its IUPAC name is (2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium.

Molecular Properties

Compound Name(2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium
PubChem CID123248387
Molecular FormulaC11H16FN4+
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name(2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium
SMILESC/N=C(\N)N(C)[N+](C)=Cc1ccccc1F
InChIInChI=1S/C11H16FN4/c1-14-11(13)16(3)15(2)8-9-6-4-5-7-10(9)12/h4-8H,1-3H3,(H2,13,14)/q+1
InChIKeyYQCQNHOKAIFPEC-UHFFFAOYSA-N
XLogP0.68
TPSA44.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(2-fluorophenyl)methylideneamino]guanidine;hydrochloride
CID 71716508
2-[(E)-(4-fluorophenyl)methylideneamino]guanidine;hydrochloride
CID 71720158
2-[(E)-(3-fluorophenyl)methylideneamino]guanidine;hydrochloride
CID 134154169
(E)-4-((4-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
CID 6858855
4-amino-3-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
CID 177375979
[(1E)-2-(4-fluorophenyl)-1-azavinyl]aminocarboxamidine
CID 9557159
N''-[(E)-(2-Fluorophenyl)methylidene]carbonohydrazonic diamide
CID 9561658
2-[(E)-(3-fluorophenyl)methylideneamino]guanidine
CID 9561679
N-[(E)-(4-fluorophenyl)methylideneamino]-N-methylmethanamine
CID 9637954
N-[(E)-(2,3-difluorophenyl)methylideneamino]-N-methylmethanamine
CID 16087650
2-[(2-Fluorophenyl)methylidene]-1,1-dimethylhydrazine
CID 110337048
Amino(2-(4-Fluorobenzylidene)Hydrazinyl)Methaniminium Chloride
CID 249138

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium?
The IUPAC name of (2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium (CID 123248387) is (2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium.
What is the SMILES notation for (2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium?
The canonical SMILES for (2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium is C/N=C(\N)N(C)[N+](C)=Cc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium?
The InChIKey is YQCQNHOKAIFPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN4/c1-14-11(13)16(3)15(2)8-9-6-4-5-7-10(9)12/h4-8H,1-3H3,(H2,13,14)/q+1.
What are the key properties of (2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium?
(2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium has a molecular weight of 223.28 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methylidene-methyl-[methyl-(N'-methylcarbamimidoyl)amino]azanium is sourced from PubChem (CID 123248387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).