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

C14H20IN3O3 — CID 111097323

IUPACN'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC(O)COc1ccc(I)cc1)N1CCOCC1
InChIInChI=1S/C14H20IN3O3/c15-11-1-3-13(4-2-11)21-10-12(19)9-17-14(16)18-5-7-20-8-6-18/h1-4,12,19H,5-10H2,(H2,16,17)
InChIKeyJFHSHUZQPPCNQX-UHFFFAOYSA-N
MW405.24 g/mol
LogP0.68
Rot. Bonds5

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

N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide (PubChem CID 111097323) has the molecular formula C14H20IN3O3 and a molecular weight of 405.24 g/mol. Its IUPAC name is N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide
PubChem CID111097323
Molecular FormulaC14H20IN3O3
Molecular Weight405.24 g/mol
Exact Mass405.05
IUPAC NameN'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC(O)COc1ccc(I)cc1)N1CCOCC1
InChIInChI=1S/C14H20IN3O3/c15-11-1-3-13(4-2-11)21-10-12(19)9-17-14(16)18-5-7-20-8-6-18/h1-4,12,19H,5-10H2,(H2,16,17)
InChIKeyJFHSHUZQPPCNQX-UHFFFAOYSA-N
XLogP0.68
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 50.68
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine-4-carboximidamide
CID 111082529
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111082627
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111082626
N'-[2-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111071957
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine
CID 111097317
N'-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111082304
1-[4-[2-(4-iodophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452209
2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111097334
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
1-(4-ethylphenyl)-2-[2-hydroxy-3-(4-iodophenoxy)propyl]guanidine;hydroiodide
CID 111097338

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide (CID 111097323) is N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide is N/C(=N\CC(O)COc1ccc(I)cc1)N1CCOCC1.
What is the InChIKey of N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide?
The InChIKey is JFHSHUZQPPCNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O3/c15-11-1-3-13(4-2-11)21-10-12(19)9-17-14(16)18-5-7-20-8-6-18/h1-4,12,19H,5-10H2,(H2,16,17).
What are the key properties of N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide?
N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide has a molecular weight of 405.24 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-3-(4-iodophenoxy)propyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111097323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).