1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide

C14H24IN3O2 — CID 111465520

IUPAC1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CC(C)Oc1ccc(C)cc1.I
InChIInChI=1S/C14H23N3O2.HI/c1-11-4-6-13(7-5-11)19-12(2)10-17-14(15)16-8-9-18-3;/h4-7,12H,8-10H2,1-3H3,(H3,15,16,17);1H
InChIKeyCVIWAUHOEBRSEY-UHFFFAOYSA-N
MW393.27 g/mol
LogP1.93
Rot. Bonds7

About 1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide

1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide (PubChem CID 111465520) has the molecular formula C14H24IN3O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide
PubChem CID111465520
Molecular FormulaC14H24IN3O2
Molecular Weight393.27 g/mol
Exact Mass393.09
IUPAC Name1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CC(C)Oc1ccc(C)cc1.I
InChIInChI=1S/C14H23N3O2.HI/c1-11-4-6-13(7-5-11)19-12(2)10-17-14(15)16-8-9-18-3;/h4-7,12H,8-10H2,1-3H3,(H3,15,16,17);1H
InChIKeyCVIWAUHOEBRSEY-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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

2-[2-(4-fluorophenoxy)propyl]-1-(4-methylphenyl)guanidine
CID 111820308
2-(3-methylbutyl)-1-[2-(4-methylphenoxy)ethyl]guanidine
CID 111026821
1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine
CID 111801514
2-(2-methoxyethyl)-1-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 110913371
1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682363
2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine
CID 111820734
methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
CID 110930535
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
2-[2-(4-methoxyphenoxy)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111801288
2-[2-(4-chlorophenoxy)propyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111820455
2-[2-(4-bromophenoxy)propyl]-1-tert-butylguanidine;hydroiodide
CID 119148338
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110916519

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide (CID 111465520) is 1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide is COCCN/C(N)=N/CC(C)Oc1ccc(C)cc1.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide?
The InChIKey is CVIWAUHOEBRSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.HI/c1-11-4-6-13(7-5-11)19-12(2)10-17-14(15)16-8-9-18-3;/h4-7,12H,8-10H2,1-3H3,(H3,15,16,17);1H.
What are the key properties of 1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide?
1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide has a molecular weight of 393.27 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111465520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).