N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide

C16H25N3O2 — CID 111811204

IUPACN'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
SMILESCC(C)c1ccccc1OCC/N=C(\N)N1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-13(2)14-5-3-4-6-15(14)21-10-7-18-16(17)19-8-11-20-12-9-19/h3-6,13H,7-12H2,1-2H3,(H2,17,18)
InChIKeySVKXVTDUBUZPSB-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.84
Rot. Bonds5

About N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide

N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide (PubChem CID 111811204) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
PubChem CID111811204
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
SMILESCC(C)c1ccccc1OCC/N=C(\N)N1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-13(2)14-5-3-4-6-15(14)21-10-7-18-16(17)19-8-11-20-12-9-19/h3-6,13H,7-12H2,1-2H3,(H2,17,18)
InChIKeySVKXVTDUBUZPSB-UHFFFAOYSA-N
XLogP1.84
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111076297
N'-[2-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111071957
N'-[2-(2-propan-2-ylphenoxy)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111811249
N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111078515
N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111076365
N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 124536276
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111820619
N'-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111101726
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide (CID 111811204) is N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide is CC(C)c1ccccc1OCC/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide?
The InChIKey is SVKXVTDUBUZPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(2)14-5-3-4-6-15(14)21-10-7-18-16(17)19-8-11-20-12-9-19/h3-6,13H,7-12H2,1-2H3,(H2,17,18).
What are the key properties of N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide?
N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide has a molecular weight of 291.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111811204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).