1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine

C19H25N3O2S — CID 111032652

IUPAC1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CCSCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H25N3O2S/c1-14-4-6-15(7-5-14)13-25-11-10-21-19(20)22-16-8-9-17(23-2)18(12-16)24-3/h4-9,12H,10-11,13H2,1-3H3,(H3,20,21,22)
InChIKeyFDKZCQAZPVXIHG-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.67
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine

1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine (PubChem CID 111032652) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine
PubChem CID111032652
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CCSCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H25N3O2S/c1-14-4-6-15(7-5-14)13-25-11-10-21-19(20)22-16-8-9-17(23-2)18(12-16)24-3/h4-9,12H,10-11,13H2,1-3H3,(H3,20,21,22)
InChIKeyFDKZCQAZPVXIHG-UHFFFAOYSA-N
XLogP3.67
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]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-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111024092
1-(3,4-dimethoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077752
1-(3,4-dimethoxyphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
CID 111802498
N-[4-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]phenyl]acetamide
CID 111086241
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine;hydroiodide
CID 111032661
1-(3,4-dimethoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine;hydroiodide
CID 110018381
1-(3,4-dimethoxyphenyl)-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine
CID 111059475
1-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046945
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine
CID 111812347
1-(3,4-dimethoxyphenyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800791
2-[2-(tert-butylamino)ethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111803382
1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806543

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine (CID 111032652) is 1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine is COc1ccc(N/C(N)=N/CCSCc2ccc(C)cc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine?
The InChIKey is FDKZCQAZPVXIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-4-6-15(7-5-14)13-25-11-10-21-19(20)22-16-8-9-17(23-2)18(12-16)24-3/h4-9,12H,10-11,13H2,1-3H3,(H3,20,21,22).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine?
1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine has a molecular weight of 359.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine is sourced from PubChem (CID 111032652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).