1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine

C14H23N3O2 — CID 111069292

IUPAC1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CCOCCOC)c1
InChIInChI=1S/C14H23N3O2/c1-3-12-5-4-6-13(11-12)17-14(15)16-7-8-19-10-9-18-2/h4-6,11H,3,7-10H2,1-2H3,(H3,15,16,17)
InChIKeyNZZRDXWIUWULJM-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.64
Rot. Bonds8

About 1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine

1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine (PubChem CID 111069292) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
PubChem CID111069292
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CCOCCOC)c1
InChIInChI=1S/C14H23N3O2/c1-3-12-5-4-6-13(11-12)17-14(15)16-7-8-19-10-9-18-2/h4-6,11H,3,7-10H2,1-2H3,(H3,15,16,17)
InChIKeyNZZRDXWIUWULJM-UHFFFAOYSA-N
XLogP1.64
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.64
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'}

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Related Compounds

1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
1-(3-ethylphenyl)-2-[2-(3-methylbutoxy)ethyl]guanidine;hydroiodide
CID 111074960
2-[2-(2-methoxyethoxy)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111069303
1-(3-ethylphenyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018549
methyl 5-[[amino-(3-ethylanilino)methylidene]amino]pentanoate
CID 111086133
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine
CID 111099248
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
2-[2-(2-butoxyethoxy)ethyl]-1-(3-methylphenyl)guanidine
CID 111821799
2-[2-(2-butoxyethoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111821840
1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111035813
1-(3-ethylphenyl)-2-(4-propan-2-yloxybutyl)guanidine
CID 110029222
1-(3-ethylphenyl)-2-[3-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111816945

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine (CID 111069292) is 1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine is CCc1cccc(N/C(N)=N/CCOCCOC)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine?
The InChIKey is NZZRDXWIUWULJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-12-5-4-6-13(11-12)17-14(15)16-7-8-19-10-9-18-2/h4-6,11H,3,7-10H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine?
1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine has a molecular weight of 265.36 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine is sourced from PubChem (CID 111069292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).