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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Related Compounds

3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417637
3-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625734
(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939704
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-fluorobenzenecarboximidamide
CID 63192924
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66391530
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493
4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666488
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide
CID 61441546
4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide
CID 55050286
5-(2-ethylmorpholin-4-yl)pyridine-2-carboximidamide
CID 115489519
4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
CID 61433267

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).