2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide

C17H22IN3O2 — CID 110936903

IUPAC2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CC(O)COCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H21N3O2.HI/c18-17(20-15-9-5-2-6-10-15)19-11-16(21)13-22-12-14-7-3-1-4-8-14;/h1-10,16,21H,11-13H2,(H3,18,19,20);1H
InChIKeyZFETYHJEQSJIAF-UHFFFAOYSA-N
MW427.29 g/mol
LogP2.61
Rot. Bonds7

About 2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide

2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide (PubChem CID 110936903) has the molecular formula C17H22IN3O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide
PubChem CID110936903
Molecular FormulaC17H22IN3O2
Molecular Weight427.29 g/mol
Exact Mass427.08
IUPAC Name2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CC(O)COCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H21N3O2.HI/c18-17(20-15-9-5-2-6-10-15)19-11-16(21)13-22-12-14-7-3-1-4-8-14;/h1-10,16,21H,11-13H2,(H3,18,19,20);1H
InChIKeyZFETYHJEQSJIAF-UHFFFAOYSA-N
XLogP2.61
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 52.61
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'}

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Related Compounds

2-(2-hydroxy-3-phenylmethoxypropyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111058019
2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide
CID 111099855
N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111058029
N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide
CID 111058030
2-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-phenylguanidine
CID 110926746
2-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111061464
2-(2-hydroxy-3-phenylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111099807
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-benzyl-1-phenylguanidine
CID 12910062
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
2-(2-hydroxy-3-phenoxypropyl)-1-(3-phenoxyphenyl)guanidine;hydrobromide
CID 167756826

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide (CID 110936903) is 2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide is I.N/C(=N\CC(O)COCc1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide?
The InChIKey is ZFETYHJEQSJIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.HI/c18-17(20-15-9-5-2-6-10-15)19-11-16(21)13-22-12-14-7-3-1-4-8-14;/h1-10,16,21H,11-13H2,(H3,18,19,20);1H.
What are the key properties of 2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide?
2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide has a molecular weight of 427.29 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110936903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).