N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide

C15H23N3O2 — CID 111078515

IUPACN'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide
SMILESCc1cc(C)cc(OCC/N=C(\N)N2CCOCC2)c1
InChIInChI=1S/C15H23N3O2/c1-12-9-13(2)11-14(10-12)20-6-3-17-15(16)18-4-7-19-8-5-18/h9-11H,3-8H2,1-2H3,(H2,16,17)
InChIKeyJLHDTLFUQVNQRO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.33
Rot. Bonds4

About N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide

N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide (PubChem CID 111078515) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide
PubChem CID111078515
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide
SMILESCc1cc(C)cc(OCC/N=C(\N)N2CCOCC2)c1
InChIInChI=1S/C15H23N3O2/c1-12-9-13(2)11-14(10-12)20-6-3-17-15(16)18-4-7-19-8-5-18/h9-11H,3-8H2,1-2H3,(H2,16,17)
InChIKeyJLHDTLFUQVNQRO-UHFFFAOYSA-N
XLogP1.33
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.33
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-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111071957
N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111076297
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111032037
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 86779305
N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111811204
N'-(2-ethoxyethyl)morpholine-4-carboximidamide;hydroiodide
CID 111045505
N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111806509
N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111049500
N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide
CID 111072067
ethyl 4-[[N'-[2-(3,5-dimethylphenoxy)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111078544

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide (CID 111078515) is N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide is Cc1cc(C)cc(OCC/N=C(\N)N2CCOCC2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide?
The InChIKey is JLHDTLFUQVNQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-9-13(2)11-14(10-12)20-6-3-17-15(16)18-4-7-19-8-5-18/h9-11H,3-8H2,1-2H3,(H2,16,17).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide?
N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111078515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).