1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine

C15H25N3O — CID 111544887

IUPAC1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESCCc1ccc(CCN/C(=N/C)NCCOC)cc1
InChIInChI=1S/C15H25N3O/c1-4-13-5-7-14(8-6-13)9-10-17-15(16-2)18-11-12-19-3/h5-8H,4,9-12H2,1-3H3,(H2,16,17,18)
InChIKeyOTHXAPRTGLJMOS-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.60
Rot. Bonds7

About 1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine

1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine (PubChem CID 111544887) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
PubChem CID111544887
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESCCc1ccc(CCN/C(=N/C)NCCOC)cc1
InChIInChI=1S/C15H25N3O/c1-4-13-5-7-14(8-6-13)9-10-17-15(16-2)18-11-12-19-3/h5-8H,4,9-12H2,1-3H3,(H2,16,17,18)
InChIKeyOTHXAPRTGLJMOS-UHFFFAOYSA-N
XLogP1.60
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(4-ethylphenyl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111548085
methyl 4-[2-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]benzoate
CID 110942174
1-(2-methoxyethyl)-2-methyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110939144
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134479
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine
CID 111170675
1-tert-butyl-3-[2-(4-ethylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111547288
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941409
1-[2-(4-ethylphenyl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111435778
1-(2-methoxyethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 110941548
1-[2-(4-fluorophenyl)ethyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111228804
1-(2-butoxyethyl)-3-[2-(4-chlorophenyl)ethyl]-2-methylguanidine
CID 111196648
methyl 4-[2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111223560

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine (CID 111544887) is 1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine is CCc1ccc(CCN/C(=N/C)NCCOC)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is OTHXAPRTGLJMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-13-5-7-14(8-6-13)9-10-17-15(16-2)18-11-12-19-3/h5-8H,4,9-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 263.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 111544887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).