4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide

C14H20FN3O2 — CID 107666488

IUPAC4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC2CN(CC)CCO2)c(F)c1
InChIInChI=1S/C14H20FN3O2/c1-2-18-5-6-19-11(8-18)9-20-13-4-3-10(14(16)17)7-12(13)15/h3-4,7,11H,2,5-6,8-9H2,1H3,(H3,16,17)
InChIKeyAZZFDMQVDTYWOY-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.21
Rot. Bonds5

About 4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide

4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide (PubChem CID 107666488) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide
PubChem CID107666488
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC2CN(CC)CCO2)c(F)c1
InChIInChI=1S/C14H20FN3O2/c1-2-18-5-6-19-11(8-18)9-20-13-4-3-10(14(16)17)7-12(13)15/h3-4,7,11H,2,5-6,8-9H2,1H3,(H3,16,17)
InChIKeyAZZFDMQVDTYWOY-UHFFFAOYSA-N
XLogP1.21
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorophenyl]ethanamine
CID 107692794
4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide
CID 107657195
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide
CID 43658320
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
CID 79167033
2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182378
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
(1R)-1-[4-[(4-ethylmorpholin-2-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107718195
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide (CID 107666488) is 4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCC2CN(CC)CCO2)c(F)c1.
What is the InChIKey of 4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide?
The InChIKey is AZZFDMQVDTYWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-2-18-5-6-19-11(8-18)9-20-13-4-3-10(14(16)17)7-12(13)15/h3-4,7,11H,2,5-6,8-9H2,1H3,(H3,16,17).
What are the key properties of 4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide?
4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide has a molecular weight of 281.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 107666488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).