4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide

C13H18FN3O — CID 43658320

IUPAC4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCOC(CC)C2)c(F)c1
InChIInChI=1S/C13H18FN3O/c1-2-10-8-17(5-6-18-10)12-4-3-9(13(15)16)7-11(12)14/h3-4,7,10H,2,5-6,8H2,1H3,(H3,15,16)
InChIKeyXBCCFGAIINYSSB-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.72
Rot. Bonds3

About 4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide

4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide (PubChem CID 43658320) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide
PubChem CID43658320
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCOC(CC)C2)c(F)c1
InChIInChI=1S/C13H18FN3O/c1-2-10-8-17(5-6-18-10)12-4-3-9(13(15)16)7-11(12)14/h3-4,7,10H,2,5-6,8H2,1H3,(H3,15,16)
InChIKeyXBCCFGAIINYSSB-UHFFFAOYSA-N
XLogP1.72
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide (CID 43658320) is 4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCOC(CC)C2)c(F)c1.
What is the InChIKey of 4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide?
The InChIKey is XBCCFGAIINYSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-10-8-17(5-6-18-10)12-4-3-9(13(15)16)7-11(12)14/h3-4,7,10H,2,5-6,8H2,1H3,(H3,15,16).
What are the key properties of 4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide?
4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide has a molecular weight of 251.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 43658320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).