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

C16H20IN3O — CID 111099855

IUPAC2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CC(O)Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H19N3O.HI/c17-16(19-14-9-5-2-6-10-14)18-12-15(20)11-13-7-3-1-4-8-13;/h1-10,15,20H,11-12H2,(H3,17,18,19);1H
InChIKeyKICVACNFXBONOJ-UHFFFAOYSA-N
MW397.26 g/mol
LogP2.63
Rot. Bonds5

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

2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide (PubChem CID 111099855) has the molecular formula C16H20IN3O and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide
PubChem CID111099855
Molecular FormulaC16H20IN3O
Molecular Weight397.26 g/mol
Exact Mass397.07
IUPAC Name2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CC(O)Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H19N3O.HI/c17-16(19-14-9-5-2-6-10-14)18-12-15(20)11-13-7-3-1-4-8-13;/h1-10,15,20H,11-12H2,(H3,17,18,19);1H
InChIKeyKICVACNFXBONOJ-UHFFFAOYSA-N
XLogP2.63
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-phenylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111099807
2-(2-hydroxy-3-phenylmethoxypropyl)-1-phenylguanidine;hydroiodide
CID 110936903
1-(2,6-diethylphenyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099800
2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111099775
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-benzyl-1-phenylguanidine
CID 12910062
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830
2-(2-hydroxy-3-phenylmethoxypropyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111058019
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 111456543
2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine
CID 111029250
2-[2-(dimethylamino)-3-phenylpropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111029219

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide (CID 111099855) is 2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide is I.N/C(=N\CC(O)Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide?
The InChIKey is KICVACNFXBONOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.HI/c17-16(19-14-9-5-2-6-10-14)18-12-15(20)11-13-7-3-1-4-8-13;/h1-10,15,20H,11-12H2,(H3,17,18,19);1H.
What are the key properties of 2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide?
2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide has a molecular weight of 397.26 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 111099855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).