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

C23H32IN3O2 — CID 111510673

IUPAC1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(O)(Cc1ccccc1)c1ccccc1)NCC1CCCO1.I
InChIInChI=1S/C23H31N3O2.HI/c1-2-24-22(25-17-21-14-9-15-28-21)26-18-23(27,20-12-7-4-8-13-20)16-19-10-5-3-6-11-19;/h3-8,10-13,21,27H,2,9,14-18H2,1H3,(H2,24,25,26);1H
InChIKeyFAAVVNQDCKWEOD-UHFFFAOYSA-N
MW509.43 g/mol
LogP3.47
Rot. Bonds8

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

1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111510673) has the molecular formula C23H32IN3O2 and a molecular weight of 509.43 g/mol. Its IUPAC name is 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
PubChem CID111510673
Molecular FormulaC23H32IN3O2
Molecular Weight509.43 g/mol
Exact Mass509.15
IUPAC Name1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(O)(Cc1ccccc1)c1ccccc1)NCC1CCCO1.I
InChIInChI=1S/C23H31N3O2.HI/c1-2-24-22(25-17-21-14-9-15-28-21)26-18-23(27,20-12-7-4-8-13-20)16-19-10-5-3-6-11-19;/h3-8,10-13,21,27H,2,9,14-18H2,1H3,(H2,24,25,26);1H
InChIKeyFAAVVNQDCKWEOD-UHFFFAOYSA-N
XLogP3.47
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.43
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide 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

2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 110953498
1-ethyl-3-(oxolan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111139862
1-ethyl-3-(oxolan-2-ylmethyl)-2-[(2-phenyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 86770911
1-ethyl-2-[(2-methylphenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137534
2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111660896
2-methyl-N-(oxolan-2-ylmethyl)-2,3-diphenylpropanamide
CID 110299379
2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine
CID 111335963
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111136643
1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(3-methoxypropyl)guanidine;hydroiodide
CID 111494733
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)guanidine
CID 111606489
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(oxolan-2-ylmethyl)guanidine
CID 109410345
3-[[ethylamino-(oxolan-2-ylmethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111136768

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide (CID 111510673) is 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide is CCN/C(=N\CC(O)(Cc1ccccc1)c1ccccc1)NCC1CCCO1.I.
What is the InChIKey of 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is FAAVVNQDCKWEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.HI/c1-2-24-22(25-17-21-14-9-15-28-21)26-18-23(27,20-12-7-4-8-13-20)16-19-10-5-3-6-11-19;/h3-8,10-13,21,27H,2,9,14-18H2,1H3,(H2,24,25,26);1H.
What are the key properties of 1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 509.43 g/mol, XLogP of 3.47, 8 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-(oxolan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111510673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).