1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine

C18H31N3O2 — CID 111001241

IUPAC1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine
SMILESCCN/C(=N\Cc1cccc(OCCOC)c1)NC(C)C(C)C
InChIInChI=1S/C18H31N3O2/c1-6-19-18(21-15(4)14(2)3)20-13-16-8-7-9-17(12-16)23-11-10-22-5/h7-9,12,14-15H,6,10-11,13H2,1-5H3,(H2,19,20,21)
InChIKeyWSLMYWFZEOQEAR-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.81
Rot. Bonds9

About 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine

1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine (PubChem CID 111001241) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine
PubChem CID111001241
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine
SMILESCCN/C(=N\Cc1cccc(OCCOC)c1)NC(C)C(C)C
InChIInChI=1S/C18H31N3O2/c1-6-19-18(21-15(4)14(2)3)20-13-16-8-7-9-17(12-16)23-11-10-22-5/h7-9,12,14-15H,6,10-11,13H2,1-5H3,(H2,19,20,21)
InChIKeyWSLMYWFZEOQEAR-UHFFFAOYSA-N
XLogP2.81
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.81
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-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111400819
1-ethyl-3-(2-ethylbutyl)-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111891732
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342406
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(3-propan-2-yloxyphenyl)methyl]guanidine
CID 111237217
1-ethyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111235210
N-ethyl-2-[3-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111234768
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257833
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 110999420
2-[(3-ethoxyphenyl)methyl]-1,3-diethylguanidine
CID 110925664
2-[3-[[[ethylamino-(propan-2-ylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111760438
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415402
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111339124

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine?
The IUPAC name of 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine (CID 111001241) is 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine is CCN/C(=N\Cc1cccc(OCCOC)c1)NC(C)C(C)C.
What is the InChIKey of 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine?
The InChIKey is WSLMYWFZEOQEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-6-19-18(21-15(4)14(2)3)20-13-16-8-7-9-17(12-16)23-11-10-22-5/h7-9,12,14-15H,6,10-11,13H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine?
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine has a molecular weight of 321.47 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(3-methylbutan-2-yl)guanidine is sourced from PubChem (CID 111001241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).