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

C14H21N3O2 — CID 111076297

IUPACN'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
SMILESCc1ccccc1OCC/N=C(\N)N1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-12-4-2-3-5-13(12)19-9-6-16-14(15)17-7-10-18-11-8-17/h2-5H,6-11H2,1H3,(H2,15,16)
InChIKeyGLHSYHUCIUABEE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.02
Rot. Bonds4

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

N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide (PubChem CID 111076297) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
PubChem CID111076297
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
SMILESCc1ccccc1OCC/N=C(\N)N1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-12-4-2-3-5-13(12)19-9-6-16-14(15)17-7-10-18-11-8-17/h2-5H,6-11H2,1H3,(H2,15,16)
InChIKeyGLHSYHUCIUABEE-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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'}

Analyze N'-[2-(2-methylphenoxy)ethyl]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-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111076365
N'-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111811204
N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide
CID 111805322
N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111078515
N'-[2-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111071957
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
N'-[3-(2-methylphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803614
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-(2-ethoxyethyl)morpholine-4-carboximidamide;hydroiodide
CID 111045505
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide (CID 111076297) is N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide is Cc1ccccc1OCC/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide?
The InChIKey is GLHSYHUCIUABEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12-4-2-3-5-13(12)19-9-6-16-14(15)17-7-10-18-11-8-17/h2-5H,6-11H2,1H3,(H2,15,16).
What are the key properties of N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide?
N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111076297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).