1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine

C15H25N3O2 — CID 110939214

IUPAC1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NCCOc1cc(C)cc(C)c1
InChIInChI=1S/C15H25N3O2/c1-12-9-13(2)11-14(10-12)20-8-6-18-15(16-3)17-5-7-19-4/h9-11H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyZEAHQMSTDBBYGL-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.49
Rot. Bonds7

About 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine

1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine (PubChem CID 110939214) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
PubChem CID110939214
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NCCOc1cc(C)cc(C)c1
InChIInChI=1S/C15H25N3O2/c1-12-9-13(2)11-14(10-12)20-8-6-18-15(16-3)17-5-7-19-4/h9-11H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyZEAHQMSTDBBYGL-UHFFFAOYSA-N
XLogP1.49
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.49
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-[2-(3,5-dimethylphenoxy)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110917591
1-(2-methoxyethyl)-2-methyl-3-[3-(4-methylphenoxy)propyl]guanidine
CID 110940234
1-(3-methoxypropyl)-2-methyl-3-[2-(3-methylphenoxy)ethyl]guanidine
CID 110975279
tert-butyl N-[2-[[N-[2-(3,5-dimethylphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111883609
1-(3-methoxypropyl)-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110974758
1-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962696
1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide
CID 110940023
2-methyl-1-[2-(3-methylphenoxy)ethyl]-3-propylguanidine
CID 111227763
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111277836
1-[[[N-[2-(3,5-dimethylphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570465
1-(3-methoxypropyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine
CID 110974067
1-[[[N-[2-(3,5-dimethylphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570464

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine (CID 110939214) is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine is C/N=C(\NCCOC)NCCOc1cc(C)cc(C)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is ZEAHQMSTDBBYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-9-13(2)11-14(10-12)20-8-6-18-15(16-3)17-5-7-19-4/h9-11H,5-8H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine?
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 279.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 110939214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).