2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

C17H23IN4O2 — CID 111834188

IUPAC2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOc1ccccc1)NCCOc1cccnc1.I
InChIInChI=1S/C17H22N4O2.HI/c1-18-17(20-10-12-22-15-6-3-2-4-7-15)21-11-13-23-16-8-5-9-19-14-16;/h2-9,14H,10-13H2,1H3,(H2,18,20,21);1H
InChIKeyGTJXTXNYXDVEAJ-UHFFFAOYSA-N
MW442.30 g/mol
LogP2.32
Rot. Bonds8

About 2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (PubChem CID 111834188) has the molecular formula C17H23IN4O2 and a molecular weight of 442.30 g/mol. Its IUPAC name is 2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
PubChem CID111834188
Molecular FormulaC17H23IN4O2
Molecular Weight442.30 g/mol
Exact Mass442.09
IUPAC Name2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOc1ccccc1)NCCOc1cccnc1.I
InChIInChI=1S/C17H22N4O2.HI/c1-18-17(20-10-12-22-15-6-3-2-4-7-15)21-11-13-23-16-8-5-9-19-14-16;/h2-9,14H,10-13H2,1H3,(H2,18,20,21);1H
InChIKeyGTJXTXNYXDVEAJ-UHFFFAOYSA-N
XLogP2.32
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-benzyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111546323
1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 75494136
1-hexyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111835312
1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111335956
1-[(4-chlorophenyl)methyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111834838
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111840193
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111839776
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111980936
2-methyl-1-[(2-prop-2-enoxyphenyl)methyl]-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111983111
2-methyl-1-(3-methylbutyl)-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 110978538
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111839632
2-methyl-1-(2-methylpropyl)-3-(2-phenoxyethyl)guanidine
CID 111005613

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (CID 111834188) is 2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is C/N=C(\NCCOc1ccccc1)NCCOc1cccnc1.I.
What is the InChIKey of 2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The InChIKey is GTJXTXNYXDVEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.HI/c1-18-17(20-10-12-22-15-6-3-2-4-7-15)21-11-13-23-16-8-5-9-19-14-16;/h2-9,14H,10-13H2,1H3,(H2,18,20,21);1H.
What are the key properties of 2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide has a molecular weight of 442.30 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 111834188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).