1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide

C15H26IN3O3 — CID 110935407

IUPAC1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCCOCc1ccc(OC)cc1.I
InChIInChI=1S/C15H25N3O3.HI/c1-19-11-9-18-15(16)17-8-3-10-21-12-13-4-6-14(20-2)7-5-13;/h4-7H,3,8-12H2,1-2H3,(H3,16,17,18);1H
InChIKeyFKHOZYFEOPBCNJ-UHFFFAOYSA-N
MW423.30 g/mol
LogP1.77
Rot. Bonds10

About 1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide

1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide (PubChem CID 110935407) has the molecular formula C15H26IN3O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
PubChem CID110935407
Molecular FormulaC15H26IN3O3
Molecular Weight423.30 g/mol
Exact Mass423.10
IUPAC Name1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCCOCc1ccc(OC)cc1.I
InChIInChI=1S/C15H25N3O3.HI/c1-19-11-9-18-15(16)17-8-3-10-21-12-13-4-6-14(20-2)7-5-13;/h4-7H,3,8-12H2,1-2H3,(H3,16,17,18);1H
InChIKeyFKHOZYFEOPBCNJ-UHFFFAOYSA-N
XLogP1.77
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 51.77
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-butyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099383
1-(3,4-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099417
2-(3-ethoxypropyl)-1-[2-(4-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111036221
1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111099443
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099385
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099386
1,1-diethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099400
1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide
CID 110924943
1-(2-phenylethyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018539
1-hexyl-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018541
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099428
1-cyclopropyl-3-ethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 110989094

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide (CID 110935407) is 1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide is COCCN/C(N)=N/CCCOCc1ccc(OC)cc1.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide?
The InChIKey is FKHOZYFEOPBCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3.HI/c1-19-11-9-18-15(16)17-8-3-10-21-12-13-4-6-14(20-2)7-5-13;/h4-7H,3,8-12H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide?
1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide has a molecular weight of 423.30 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide is sourced from PubChem (CID 110935407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).