2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine

C23H33N3O2 — CID 111356952

IUPAC2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(c1ccccc1)c1ccccc1)NCCCOCCOC
InChIInChI=1S/C23H33N3O2/c1-3-24-23(25-15-10-16-28-18-17-27-2)26-19-22(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,22H,3,10,15-19H2,1-2H3,(H2,24,25,26)
InChIKeyCQOQGYHRODUHQB-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.43
Rot. Bonds12

About 2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine

2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine (PubChem CID 111356952) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine.

Molecular Properties

Compound Name2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
PubChem CID111356952
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(c1ccccc1)c1ccccc1)NCCCOCCOC
InChIInChI=1S/C23H33N3O2/c1-3-24-23(25-15-10-16-28-18-17-27-2)26-19-22(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,22H,3,10,15-19H2,1-2H3,(H2,24,25,26)
InChIKeyCQOQGYHRODUHQB-UHFFFAOYSA-N
XLogP3.43
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
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

1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-phenoxypropyl)guanidine
CID 111788822
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-[4-(2-methoxyethoxy)butyl]guanidine
CID 109411057
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111326006
1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine
CID 110973257
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-methoxypropyl)guanidine
CID 109410343
1-(3-ethoxypropyl)-3-ethyl-2-(2-methoxy-2-phenylethyl)guanidine
CID 111222703
2-(2,2-diphenylethyl)-1,3-diethylguanidine
CID 110924816
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-[3-(1-phenylethoxy)propyl]guanidine
CID 111403509
2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111406509
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111406614
2-benzyl-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 110953833
1-ethyl-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 109491633

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine?
The IUPAC name of 2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine (CID 111356952) is 2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine.
What is the SMILES notation for 2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine?
The canonical SMILES for 2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine is CCN/C(=N\CC(c1ccccc1)c1ccccc1)NCCCOCCOC.
What is the InChIKey of 2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine?
The InChIKey is CQOQGYHRODUHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-3-24-23(25-15-10-16-28-18-17-27-2)26-19-22(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,22H,3,10,15-19H2,1-2H3,(H2,24,25,26).
What are the key properties of 2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine?
2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine has a molecular weight of 383.54 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine is sourced from PubChem (CID 111356952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).