1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide

C22H32IN3O2 — CID 111494733

IUPAC1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(O)(Cc1ccccc1)c1ccccc1)NCCCOC.I
InChIInChI=1S/C22H31N3O2.HI/c1-3-23-21(24-15-10-16-27-2)25-18-22(26,20-13-8-5-9-14-20)17-19-11-6-4-7-12-19;/h4-9,11-14,26H,3,10,15-18H2,1-2H3,(H2,23,24,25);1H
InChIKeyKSYHTUXZIBLEEV-UHFFFAOYSA-N
MW497.42 g/mol
LogP3.33
Rot. Bonds10

About 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide

1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide (PubChem CID 111494733) has the molecular formula C22H32IN3O2 and a molecular weight of 497.42 g/mol. Its IUPAC name is 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide
PubChem CID111494733
Molecular FormulaC22H32IN3O2
Molecular Weight497.42 g/mol
Exact Mass497.15
IUPAC Name1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(O)(Cc1ccccc1)c1ccccc1)NCCCOC.I
InChIInChI=1S/C22H31N3O2.HI/c1-3-23-21(24-15-10-16-27-2)25-18-22(26,20-13-8-5-9-14-20)17-19-11-6-4-7-12-19;/h4-9,11-14,26H,3,10,15-18H2,1-2H3,(H2,23,24,25);1H
InChIKeyKSYHTUXZIBLEEV-UHFFFAOYSA-N
XLogP3.33
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.42
LogP ≤ 53.33
H-Bond Donors ≤ 53
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 109417286
1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111510673
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111948020
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111607438
1-ethyl-3-(3-methoxypropyl)-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110974626
2-benzyl-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 110953833
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[3-(2-methylpropoxy)propyl]guanidine
CID 109417712
methyl 5-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]pentanoate;hydroiodide
CID 109418413
1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine
CID 110973257
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(3-phenoxypropyl)guanidine
CID 111605681
1-ethyl-2-(2-ethyl-2-hydroxybutyl)-3-(3-phenylpropyl)guanidine
CID 111199310
1-ethyl-3-(3-fluoropropyl)-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109417596

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide (CID 111494733) is 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide is CCN/C(=N\CC(O)(Cc1ccccc1)c1ccccc1)NCCCOC.I.
What is the InChIKey of 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide?
The InChIKey is KSYHTUXZIBLEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2.HI/c1-3-23-21(24-15-10-16-27-2)25-18-22(26,20-13-8-5-9-14-20)17-19-11-6-4-7-12-19;/h4-9,11-14,26H,3,10,15-18H2,1-2H3,(H2,23,24,25);1H.
What are the key properties of 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide?
1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide has a molecular weight of 497.42 g/mol, XLogP of 3.33, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide is sourced from PubChem (CID 111494733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).