1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine

C16H27N3O2 — CID 110973257

IUPAC1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CC(OC)c1ccccc1)NCCCOC
InChIInChI=1S/C16H27N3O2/c1-4-17-16(18-11-8-12-20-2)19-13-15(21-3)14-9-6-5-7-10-14/h5-7,9-10,15H,4,8,11-13H2,1-3H3,(H2,17,18,19)
InChIKeyFBGFWPPPIBJJMG-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.97
Rot. Bonds9

About 1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine

1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine (PubChem CID 110973257) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine
PubChem CID110973257
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CC(OC)c1ccccc1)NCCCOC
InChIInChI=1S/C16H27N3O2/c1-4-17-16(18-11-8-12-20-2)19-13-15(21-3)14-9-6-5-7-10-14/h5-7,9-10,15H,4,8,11-13H2,1-3H3,(H2,17,18,19)
InChIKeyFBGFWPPPIBJJMG-UHFFFAOYSA-N
XLogP1.97
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.97
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'}

Analyze 1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethoxypropyl)-3-ethyl-2-(2-methoxy-2-phenylethyl)guanidine
CID 111222703
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-methoxypropyl)guanidine
CID 109410343
2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111356952
1-(cyclopropylmethyl)-3-ethyl-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111868097
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111326006
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-phenylbutyl)guanidine;hydroiodide
CID 110942185
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)guanidine
CID 111494506
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-phenoxypropyl)guanidine
CID 111788822
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine
CID 111652056
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-[4-(2-methoxyethoxy)butyl]guanidine
CID 109411057
1-(4-ethoxybutyl)-3-ethyl-2-[2-(4-fluorophenyl)-2-methoxyethyl]guanidine
CID 111714048
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111651103

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine (CID 110973257) is 1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine is CCN/C(=N\CC(OC)c1ccccc1)NCCCOC.
What is the InChIKey of 1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine?
The InChIKey is FBGFWPPPIBJJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-17-16(18-11-8-12-20-2)19-13-15(21-3)14-9-6-5-7-10-14/h5-7,9-10,15H,4,8,11-13H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine?
1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine has a molecular weight of 293.41 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine is sourced from PubChem (CID 110973257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).