N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide

C14H21FIN3O2 — CID 111820619

IUPACN'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCOCC1)Oc1ccccc1F.I
InChIInChI=1S/C14H20FN3O2.HI/c1-11(20-13-5-3-2-4-12(13)15)10-17-14(16)18-6-8-19-9-7-18;/h2-5,11H,6-10H2,1H3,(H2,16,17);1H
InChIKeyWCANGPKISKEGPS-UHFFFAOYSA-N
MW409.24 g/mol
LogP1.86
Rot. Bonds4

About N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111820619) has the molecular formula C14H21FIN3O2 and a molecular weight of 409.24 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111820619
Molecular FormulaC14H21FIN3O2
Molecular Weight409.24 g/mol
Exact Mass409.07
IUPAC NameN'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCOCC1)Oc1ccccc1F.I
InChIInChI=1S/C14H20FN3O2.HI/c1-11(20-13-5-3-2-4-12(13)15)10-17-14(16)18-6-8-19-9-7-18;/h2-5,11H,6-10H2,1H3,(H2,16,17);1H
InChIKeyWCANGPKISKEGPS-UHFFFAOYSA-N
XLogP1.86
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-fluorophenoxy)butyl]morpholine-4-carboximidamide
CID 111752728
N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111820650
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111465552
N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
CID 111820472
N'-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111101726
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
CID 53286283
N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120661576
N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 124536276
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111820651
N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111811204

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide (CID 111820619) is N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide is CC(C/N=C(\N)N1CCOCC1)Oc1ccccc1F.I.
What is the InChIKey of N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is WCANGPKISKEGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2.HI/c1-11(20-13-5-3-2-4-12(13)15)10-17-14(16)18-6-8-19-9-7-18;/h2-5,11H,6-10H2,1H3,(H2,16,17);1H.
What are the key properties of N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 409.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111820619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).