1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide

C17H22IN3O — CID 111028419

IUPAC1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1ccccc1)NCCOc1ccccc1
InChIInChI=1S/C17H21N3O.HI/c18-17(19-12-11-15-7-3-1-4-8-15)20-13-14-21-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H3,18,19,20);1H
InChIKeyMDHNYLRIJILMPY-UHFFFAOYSA-N
MW411.29 g/mol
LogP2.83
Rot. Bonds7

About 1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide

1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111028419) has the molecular formula C17H22IN3O and a molecular weight of 411.29 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111028419
Molecular FormulaC17H22IN3O
Molecular Weight411.29 g/mol
Exact Mass411.08
IUPAC Name1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1ccccc1)NCCOc1ccccc1
InChIInChI=1S/C17H21N3O.HI/c18-17(19-12-11-15-7-3-1-4-8-15)20-13-14-21-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H3,18,19,20);1H
InChIKeyMDHNYLRIJILMPY-UHFFFAOYSA-N
XLogP2.83
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 52.83
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-(4-chlorophenoxy)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111032317
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111028429
1,2-bis(2-phenylethyl)guanidine
CID 111022877
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(2-phenylethyl)guanidine
CID 111072013
2-(2-methylprop-2-enyl)-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111028471
N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027913
1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026860
1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111031333
1-amino-2-(2-phenylethyl)guanidine;hydroiodide
CID 158954374
2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111061038
2-[4-[2-[[amino-(2-phenylethylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075226
1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111037435

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide (CID 111028419) is 1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide is I.N/C(=N\CCc1ccccc1)NCCOc1ccccc1.
What is the InChIKey of 1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is MDHNYLRIJILMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.HI/c18-17(19-12-11-15-7-3-1-4-8-15)20-13-14-21-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H3,18,19,20);1H.
What are the key properties of 1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide?
1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 411.29 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-2-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111028419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).