1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine

C18H30N4O2 — CID 110972471

IUPAC1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NCCOc1ccccc1
InChIInChI=1S/C18H30N4O2/c1-2-19-18(20-9-6-11-22-12-15-23-16-13-22)21-10-14-24-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3,(H2,19,20,21)
InChIKeyXNOHESXICDLVKB-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.34
Rot. Bonds9

About 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine

1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine (PubChem CID 110972471) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
PubChem CID110972471
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NCCOc1ccccc1
InChIInChI=1S/C18H30N4O2/c1-2-19-18(20-9-6-11-22-12-15-23-16-13-22)21-10-14-24-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3,(H2,19,20,21)
InChIKeyXNOHESXICDLVKB-UHFFFAOYSA-N
XLogP1.34
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.34
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'}

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Related Compounds

1-ethyl-3-(2-morpholin-4-ylethyl)-2-(3-phenoxypropyl)guanidine
CID 111187479
1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972329
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(2-morpholin-4-ylethyl)guanidine
CID 111187685
1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111835729
1-ethyl-2-[3-(4-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971534
1-[2-(2,3-dichlorophenoxy)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971520
1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine
CID 110972271
1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine
CID 111199504
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006570
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111838187
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine
CID 110971895
1-ethyl-3-(2-methoxyethyl)-2-(4-morpholin-4-ylbutyl)guanidine
CID 110939994

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine?
The IUPAC name of 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine (CID 110972471) is 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine is CCN/C(=N\CCCN1CCOCC1)NCCOc1ccccc1.
What is the InChIKey of 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine?
The InChIKey is XNOHESXICDLVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-2-19-18(20-9-6-11-22-12-15-23-16-13-22)21-10-14-24-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine?
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine has a molecular weight of 334.46 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine is sourced from PubChem (CID 110972471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).