2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide

C14H24IN3O2 — CID 110913472

IUPAC2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCOCC/N=C(\N)NCCc1cc(C)ccc1OC.I
InChIInChI=1S/C14H23N3O2.HI/c1-11-4-5-13(19-3)12(10-11)6-7-16-14(15)17-8-9-18-2;/h4-5,10H,6-9H2,1-3H3,(H3,15,16,17);1H
InChIKeyUPNYREQXIRJCKT-UHFFFAOYSA-N
MW393.27 g/mol
LogP1.71
Rot. Bonds7

About 2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide

2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide (PubChem CID 110913472) has the molecular formula C14H24IN3O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
PubChem CID110913472
Molecular FormulaC14H24IN3O2
Molecular Weight393.27 g/mol
Exact Mass393.09
IUPAC Name2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCOCC/N=C(\N)NCCc1cc(C)ccc1OC.I
InChIInChI=1S/C14H23N3O2.HI/c1-11-4-5-13(19-3)12(10-11)6-7-16-14(15)17-8-9-18-2;/h4-5,10H,6-9H2,1-3H3,(H3,15,16,17);1H
InChIKeyUPNYREQXIRJCKT-UHFFFAOYSA-N
XLogP1.71
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111034980
1-(3,5-dimethylphenyl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111034928
1-[2-(2,4-difluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111118220
1-[2-(2-methoxyethoxy)ethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111388811
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 111044421
1-[2-(4-ethylphenyl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111435778
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030
2-[2-(tert-butylamino)ethyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111767974
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 33033808
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111368350
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111179751

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide (CID 110913472) is 2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide is COCC/N=C(\N)NCCc1cc(C)ccc1OC.I.
What is the InChIKey of 2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is UPNYREQXIRJCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.HI/c1-11-4-5-13(19-3)12(10-11)6-7-16-14(15)17-8-9-18-2;/h4-5,10H,6-9H2,1-3H3,(H3,15,16,17);1H.
What are the key properties of 2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide?
2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 393.27 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110913472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).