1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide

C14H24IN3O2 — CID 111057847

IUPAC1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCOc1cccc(OC)c1.I
InChIInChI=1S/C14H23N3O2.HI/c1-4-17(5-2)14(15)16-9-10-19-13-8-6-7-12(11-13)18-3;/h6-8,11H,4-5,9-10H2,1-3H3,(H2,15,16);1H
InChIKeyRRHPCVKOCDKUJV-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.35
Rot. Bonds7

About 1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide

1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide (PubChem CID 111057847) has the molecular formula C14H24IN3O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide
PubChem CID111057847
Molecular FormulaC14H24IN3O2
Molecular Weight393.27 g/mol
Exact Mass393.09
IUPAC Name1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCOc1cccc(OC)c1.I
InChIInChI=1S/C14H23N3O2.HI/c1-4-17(5-2)14(15)16-9-10-19-13-8-6-7-12(11-13)18-3;/h6-8,11H,4-5,9-10H2,1-3H3,(H2,15,16);1H
InChIKeyRRHPCVKOCDKUJV-UHFFFAOYSA-N
XLogP2.35
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
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

1,1-diethyl-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 75534622
2-[2-(3-chlorophenoxy)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111071432
2-[2-(3,5-dimethylphenoxy)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111078524
1,1-diethyl-2-[2-[3-(3-phenylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111807463
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
CID 100667411
1,1-diethyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088233
2-[2-(3-fluorophenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111057887
1-(3-ethylphenyl)-2-[3-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111816945
1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 136922401
1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031972
1,1-diethyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099400
N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111101624

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide (CID 111057847) is 1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide is CCN(CC)/C(N)=N/CCOc1cccc(OC)c1.I.
What is the InChIKey of 1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide?
The InChIKey is RRHPCVKOCDKUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.HI/c1-4-17(5-2)14(15)16-9-10-19-13-8-6-7-12(11-13)18-3;/h6-8,11H,4-5,9-10H2,1-3H3,(H2,15,16);1H.
What are the key properties of 1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide?
1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide has a molecular weight of 393.27 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111057847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).