N'-(2-phenoxypropyl)morpholine-4-carboximidamide

C14H21N3O2 — CID 111801506

IUPACN'-(2-phenoxypropyl)morpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCOCC1)Oc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-12(19-13-5-3-2-4-6-13)11-16-14(15)17-7-9-18-10-8-17/h2-6,12H,7-11H2,1H3,(H2,15,16)
InChIKeyAKKIFZWFPCQLMH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.10
Rot. Bonds4

About N'-(2-phenoxypropyl)morpholine-4-carboximidamide

N'-(2-phenoxypropyl)morpholine-4-carboximidamide (PubChem CID 111801506) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-(2-phenoxypropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-phenoxypropyl)morpholine-4-carboximidamide
PubChem CID111801506
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-(2-phenoxypropyl)morpholine-4-carboximidamide
SMILESCC(C/N=C(\N)N1CCOCC1)Oc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-12(19-13-5-3-2-4-6-13)11-16-14(15)17-7-9-18-10-8-17/h2-6,12H,7-11H2,1H3,(H2,15,16)
InChIKeyAKKIFZWFPCQLMH-UHFFFAOYSA-N
XLogP1.10
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.10
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'}

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Related Compounds

N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
CID 111820472
N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111820619
N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111820723
N'-[2-(4-chlorophenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111820434
4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide
CID 111465531
N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120662236
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide
CID 111799880
N'-[2-(2-fluorophenoxy)butyl]morpholine-4-carboximidamide
CID 111752728
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111799879
N'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111047716
N'-(3-methyl-2-pyridin-3-ylbutyl)morpholine-4-carboximidamide
CID 111911290

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenoxypropyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(2-phenoxypropyl)morpholine-4-carboximidamide (CID 111801506) is N'-(2-phenoxypropyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-phenoxypropyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(2-phenoxypropyl)morpholine-4-carboximidamide is CC(C/N=C(\N)N1CCOCC1)Oc1ccccc1.
What is the InChIKey of N'-(2-phenoxypropyl)morpholine-4-carboximidamide?
The InChIKey is AKKIFZWFPCQLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12(19-13-5-3-2-4-6-13)11-16-14(15)17-7-9-18-10-8-17/h2-6,12H,7-11H2,1H3,(H2,15,16).
What are the key properties of N'-(2-phenoxypropyl)morpholine-4-carboximidamide?
N'-(2-phenoxypropyl)morpholine-4-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenoxypropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 111801506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).