3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide

C14H19FN2O — CID 106202137

IUPAC3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)cc(COCCC2CCC2)c1
InChIInChI=1S/C14H19FN2O/c15-13-7-11(6-12(8-13)14(16)17)9-18-5-4-10-2-1-3-10/h6-8,10H,1-5,9H2,(H3,16,17)
InChIKeyGYAGSEWPIBBIHH-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.82
Rot. Bonds6

About 3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide

3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide (PubChem CID 106202137) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide
PubChem CID106202137
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)cc(COCCC2CCC2)c1
InChIInChI=1S/C14H19FN2O/c15-13-7-11(6-12(8-13)14(16)17)9-18-5-4-10-2-1-3-10/h6-8,10H,1-5,9H2,(H3,16,17)
InChIKeyGYAGSEWPIBBIHH-UHFFFAOYSA-N
XLogP2.82
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide?
The IUPAC name of 3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide (CID 106202137) is 3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)cc(COCCC2CCC2)c1.
What is the InChIKey of 3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide?
The InChIKey is GYAGSEWPIBBIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-13-7-11(6-12(8-13)14(16)17)9-18-5-4-10-2-1-3-10/h6-8,10H,1-5,9H2,(H3,16,17).
What are the key properties of 3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide?
3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide has a molecular weight of 250.32 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxymethyl)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 106202137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).