2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine

C16H26ClN3O2 — CID 111691090

IUPAC2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC(OC)c1cccc(Cl)c1)NCCOCC
InChIInChI=1S/C16H26ClN3O2/c1-4-18-16(19-9-10-22-5-2)20-12-15(21-3)13-7-6-8-14(17)11-13/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H2,18,19,20)
InChIKeyCCRUAMBOMCWKSZ-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.62
Rot. Bonds9

About 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine

2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine (PubChem CID 111691090) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine
PubChem CID111691090
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC(OC)c1cccc(Cl)c1)NCCOCC
InChIInChI=1S/C16H26ClN3O2/c1-4-18-16(19-9-10-22-5-2)20-12-15(21-3)13-7-6-8-14(17)11-13/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H2,18,19,20)
InChIKeyCCRUAMBOMCWKSZ-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.62
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

2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine
CID 111500481
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111499983
1-(3-ethoxypropyl)-3-ethyl-2-(2-methoxy-2-phenylethyl)guanidine
CID 111222703
1-(2-ethoxyethyl)-3-ethyl-2-[2-(4-fluorophenyl)-2-methoxyethyl]guanidine;hydroiodide
CID 111714085
1-(4-ethoxybutyl)-3-ethyl-2-[2-(4-fluorophenyl)-2-methoxyethyl]guanidine
CID 111714048
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111224339
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 111944194
1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine
CID 110973257
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-propylguanidine;hydroiodide
CID 111821692
2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111501270
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111499950
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111176690

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine?
The IUPAC name of 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine (CID 111691090) is 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine?
The canonical SMILES for 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine is CCN/C(=N\CC(OC)c1cccc(Cl)c1)NCCOCC.
What is the InChIKey of 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine?
The InChIKey is CCRUAMBOMCWKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O2/c1-4-18-16(19-9-10-22-5-2)20-12-15(21-3)13-7-6-8-14(17)11-13/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine?
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine has a molecular weight of 327.86 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine is sourced from PubChem (CID 111691090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).