1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine

C23H33N3O3 — CID 111987305

IUPAC1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine
SMILESCCN/C(=N\CC(C)c1cccc(C)c1)NCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C23H33N3O3/c1-6-24-23(25-14-17(3)18-9-7-8-16(2)12-18)26-15-21(27)20-13-19(28-4)10-11-22(20)29-5/h7-13,17,21,27H,6,14-15H2,1-5H3,(H2,24,25,26)
InChIKeyOTCKBUFMNLKUKO-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.40
Rot. Bonds9

About 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine

1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine (PubChem CID 111987305) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine
PubChem CID111987305
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine
SMILESCCN/C(=N\CC(C)c1cccc(C)c1)NCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C23H33N3O3/c1-6-24-23(25-14-17(3)18-9-7-8-16(2)12-18)26-15-21(27)20-13-19(28-4)10-11-22(20)29-5/h7-13,17,21,27H,6,14-15H2,1-5H3,(H2,24,25,26)
InChIKeyOTCKBUFMNLKUKO-UHFFFAOYSA-N
XLogP3.40
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]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-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[(2-methylphenyl)methyl]guanidine
CID 111359835
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111988238
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-[1-(2-methoxy-5-methylphenyl)ethyl]guanidine
CID 111386362
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-[2-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111988074
1-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethylguanidine
CID 111378326
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-propylguanidine;hydroiodide
CID 111226828
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111388931
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111999466
2-[(2,5-difluorophenyl)methyl]-1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethylguanidine
CID 111999609
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111378401
1-butyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 111149521
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111324112

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine?
The IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine (CID 111987305) is 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine.
What is the SMILES notation for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine?
The canonical SMILES for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine is CCN/C(=N\CC(C)c1cccc(C)c1)NCC(O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine?
The InChIKey is OTCKBUFMNLKUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-6-24-23(25-14-17(3)18-9-7-8-16(2)12-18)26-15-21(27)20-13-19(28-4)10-11-22(20)29-5/h7-13,17,21,27H,6,14-15H2,1-5H3,(H2,24,25,26).
What are the key properties of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine?
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine has a molecular weight of 399.54 g/mol, XLogP of 3.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[2-(3-methylphenyl)propyl]guanidine is sourced from PubChem (CID 111987305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).