1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide

C21H30IN3O — CID 109389517

IUPAC1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NCC(Cc1ccccc1)c1ccccc1.I
InChIInChI=1S/C21H29N3O.HI/c1-3-25-15-14-23-21(22-2)24-17-20(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18;/h4-13,20H,3,14-17H2,1-2H3,(H2,22,23,24);1H
InChIKeyFLOFQNPESMCOGG-UHFFFAOYSA-N
MW467.40 g/mol
LogP3.83
Rot. Bonds9

About 1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide

1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide (PubChem CID 109389517) has the molecular formula C21H30IN3O and a molecular weight of 467.40 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
PubChem CID109389517
Molecular FormulaC21H30IN3O
Molecular Weight467.40 g/mol
Exact Mass467.14
IUPAC Name1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NCC(Cc1ccccc1)c1ccccc1.I
InChIInChI=1S/C21H29N3O.HI/c1-3-25-15-14-23-21(22-2)24-17-20(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18;/h4-13,20H,3,14-17H2,1-2H3,(H2,22,23,24);1H
InChIKeyFLOFQNPESMCOGG-UHFFFAOYSA-N
XLogP3.83
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111896242
1-(2-ethoxyethyl)-2-methyl-3-(3-methyl-2-phenylbutyl)guanidine;hydroiodide
CID 111895046
1-(4-ethoxybutyl)-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
CID 109409736
1-(2-ethoxyethyl)-2-methyl-3-(3-phenylbutyl)guanidine;hydroiodide
CID 111894278
1-(2-ethoxyethyl)-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198953
1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 109389328
1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine
CID 109389814
1-(2-ethoxyethyl)-2-methyl-3-(5-phenylpentyl)guanidine;hydroiodide
CID 111895474
N-[2-[[N-(2,3-diphenylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109389519
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 109408697
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 109410841
1-(2,3-diphenylpropyl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine
CID 109389332

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide (CID 109389517) is 1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide is CCOCCN/C(=N\C)NCC(Cc1ccccc1)c1ccccc1.I.
What is the InChIKey of 1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide?
The InChIKey is FLOFQNPESMCOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O.HI/c1-3-25-15-14-23-21(22-2)24-17-20(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18;/h4-13,20H,3,14-17H2,1-2H3,(H2,22,23,24);1H.
What are the key properties of 1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide?
1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide has a molecular weight of 467.40 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 109389517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).