1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine

C15H25N3O — CID 111895195

IUPAC1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(C)c1)NCCOCC
InChIInChI=1S/C15H25N3O/c1-4-16-15(17-9-10-19-5-2)18-12-14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3,(H2,16,17,18)
InChIKeyFOXKRHYFYRWDBJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.09
Rot. Bonds7

About 1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine

1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine (PubChem CID 111895195) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine
PubChem CID111895195
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(C)c1)NCCOCC
InChIInChI=1S/C15H25N3O/c1-4-16-15(17-9-10-19-5-2)18-12-14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3,(H2,16,17,18)
InChIKeyFOXKRHYFYRWDBJ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111899698
1-(2-ethoxyethyl)-3-ethyl-2-[(3-fluorophenyl)methyl]guanidine
CID 111876017
2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine
CID 110954950
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896807
1-(2-ethoxyethyl)-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 75420924
2-[(3-cyanophenyl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896149
2-[(3-butoxyphenyl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111895789
N-[3-[[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111896011
2-[[3-(difluoromethoxy)phenyl]methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111895293
N-[2-[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111899999
2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-ethyl-3-propylguanidine;hydroiodide
CID 111226385
1-(4-ethoxybutyl)-3-ethyl-2-[(3-fluorophenyl)methyl]guanidine
CID 111877271

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine?
The IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine (CID 111895195) is 1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine?
The canonical SMILES for 1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine is CCN/C(=N\Cc1cccc(C)c1)NCCOCC.
What is the InChIKey of 1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine?
The InChIKey is FOXKRHYFYRWDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-16-15(17-9-10-19-5-2)18-12-14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine?
1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine has a molecular weight of 263.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-ethyl-2-[(3-methylphenyl)methyl]guanidine is sourced from PubChem (CID 111895195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).