2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide

C14H13FN2O — CID 79520393

IUPAC2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Oc1ccccc1C
InChIInChI=1S/C14H13FN2O/c1-9-5-2-3-7-11(9)18-12-8-4-6-10(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyJHCTWGCOJGKNRM-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.21
Rot. Bonds3

About 2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide

2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide (PubChem CID 79520393) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
PubChem CID79520393
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Oc1ccccc1C
InChIInChI=1S/C14H13FN2O/c1-9-5-2-3-7-11(9)18-12-8-4-6-10(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyJHCTWGCOJGKNRM-UHFFFAOYSA-N
XLogP3.21
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 79517566
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-fluoro-6-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712612
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
2-fluoro-6-pyridin-3-yloxybenzenecarboximidamide
CID 79522129
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351
2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79523185
2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide
CID 107284685
2,6-dimethylbenzenecarboximidamide
CID 5047790
2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 64748711
3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide
CID 107658516
2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide
CID 79017446

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide (CID 79520393) is 2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1Oc1ccccc1C.
What is the InChIKey of 2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide?
The InChIKey is JHCTWGCOJGKNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-5-2-3-7-11(9)18-12-8-4-6-10(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17).
What are the key properties of 2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide?
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide has a molecular weight of 244.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 79520393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).