N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide

C11H16FN3O — CID 62543990

IUPACN-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
SMILESCOCC/N=C(\NN)c1cc(C)ccc1F
InChIInChI=1S/C11H16FN3O/c1-8-3-4-10(12)9(7-8)11(15-13)14-5-6-16-2/h3-4,7H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyRRHLVFHVOYLMFA-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.99
Rot. Bonds4

About N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide

N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide (PubChem CID 62543990) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
PubChem CID62543990
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
SMILESCOCC/N=C(\NN)c1cc(C)ccc1F
InChIInChI=1S/C11H16FN3O/c1-8-3-4-10(12)9(7-8)11(15-13)14-5-6-16-2/h3-4,7H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyRRHLVFHVOYLMFA-UHFFFAOYSA-N
XLogP0.99
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543831
N-amino-4-bromo-2-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544317
N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62542671
1-amino-3-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
CID 116514806
N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62543676
2-methoxyethyl 2-fluoro-4-methylbenzoate
CID 79872980
N-amino-N'-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboximidamide
CID 62543345
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-methylbenzamide
CID 62512852
N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 62542673
N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide
CID 62543670
N-(4-bromo-1-methoxybutan-2-yl)-2-fluoro-5-methylbenzamide
CID 106156531
N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide
CID 65215060

Frequently Asked Questions

What is the IUPAC name of N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide?
The IUPAC name of N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide (CID 62543990) is N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide?
The canonical SMILES for N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide is COCC/N=C(\NN)c1cc(C)ccc1F.
What is the InChIKey of N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide?
The InChIKey is RRHLVFHVOYLMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8-3-4-10(12)9(7-8)11(15-13)14-5-6-16-2/h3-4,7H,5-6,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide?
N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide has a molecular weight of 225.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 62543990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).