N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide

C14H20FN3O2 — CID 111820472

IUPACN'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCOCC1)Oc1cccc(F)c1
InChIInChI=1S/C14H20FN3O2/c1-11(20-13-4-2-3-12(15)9-13)10-17-14(16)18-5-7-19-8-6-18/h2-4,9,11H,5-8,10H2,1H3,(H2,16,17)
InChIKeyFIRWAWUVHZMJJU-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.24
Rot. Bonds4

About N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide

N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide (PubChem CID 111820472) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
PubChem CID111820472
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCOCC1)Oc1cccc(F)c1
InChIInChI=1S/C14H20FN3O2/c1-11(20-13-4-2-3-12(15)9-13)10-17-14(16)18-5-7-19-8-6-18/h2-4,9,11H,5-8,10H2,1H3,(H2,16,17)
InChIKeyFIRWAWUVHZMJJU-UHFFFAOYSA-N
XLogP1.24
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.24
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'}

Analyze N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465403
N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111820619
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111503041
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide
CID 111029314
N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111820723
N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide
CID 111970223
1-ethyl-3-[2-(3-fluorophenoxy)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111502894
N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111091805
N'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine
CID 136921329
1-(3,5-dimethylphenyl)-2-[2-(3-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111820505

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide (CID 111820472) is N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide is CC(C/N=C(\N)N1CCOCC1)Oc1cccc(F)c1.
What is the InChIKey of N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide?
The InChIKey is FIRWAWUVHZMJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-11(20-13-4-2-3-12(15)9-13)10-17-14(16)18-5-7-19-8-6-18/h2-4,9,11H,5-8,10H2,1H3,(H2,16,17).
What are the key properties of N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide?
N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide has a molecular weight of 281.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111820472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).