1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine

C18H30N4O2 — CID 111187685

IUPAC1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CCN1CCOCC1)NCCOc1ccc(C)cc1
InChIInChI=1S/C18H30N4O2/c1-3-19-18(20-8-10-22-11-14-23-15-12-22)21-9-13-24-17-6-4-16(2)5-7-17/h4-7H,3,8-15H2,1-2H3,(H2,19,20,21)
InChIKeyFUQCKNHIWWIKST-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.26
Rot. Bonds8

About 1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine

1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111187685) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine
PubChem CID111187685
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CCN1CCOCC1)NCCOc1ccc(C)cc1
InChIInChI=1S/C18H30N4O2/c1-3-19-18(20-8-10-22-11-14-23-15-12-22)21-9-13-24-17-6-4-16(2)5-7-17/h4-7H,3,8-15H2,1-2H3,(H2,19,20,21)
InChIKeyFUQCKNHIWWIKST-UHFFFAOYSA-N
XLogP1.26
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine 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

1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972329
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
CID 110972471
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111277338
1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111835729
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111026889
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(3-phenoxypropyl)guanidine
CID 111187479
1-ethyl-2-[3-(4-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971534
1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111276864
1-(2-butoxyethyl)-3-ethyl-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188770
2-(2-cyclopropylethyl)-1-ethyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111604669
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-pyrazol-1-ylethyl)guanidine
CID 111277855
1-ethyl-2-[2-(4-methylphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111547712

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine (CID 111187685) is 1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine is CCN/C(=N\CCN1CCOCC1)NCCOc1ccc(C)cc1.
What is the InChIKey of 1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is FUQCKNHIWWIKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-19-18(20-8-10-22-11-14-23-15-12-22)21-9-13-24-17-6-4-16(2)5-7-17/h4-7H,3,8-15H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine?
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 334.46 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111187685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).