1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine

C20H27N3O — CID 111136425

IUPAC1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine
SMILESC/N=C(/NCCCc1cccc(OC)c1)NCCc1ccccc1
InChIInChI=1S/C20H27N3O/c1-21-20(23-15-13-17-8-4-3-5-9-17)22-14-7-11-18-10-6-12-19(16-18)24-2/h3-6,8-10,12,16H,7,11,13-15H2,1-2H3,(H2,21,22,23)
InChIKeyQBDYPLMZSMHYJH-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.04
Rot. Bonds8

About 1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine

1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine (PubChem CID 111136425) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine
PubChem CID111136425
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine
SMILESC/N=C(/NCCCc1cccc(OC)c1)NCCc1ccccc1
InChIInChI=1S/C20H27N3O/c1-21-20(23-15-13-17-8-4-3-5-9-17)22-14-7-11-18-10-6-12-19(16-18)24-2/h3-6,8-10,12,16H,7,11,13-15H2,1-2H3,(H2,21,22,23)
InChIKeyQBDYPLMZSMHYJH-UHFFFAOYSA-N
XLogP3.04
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)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-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110976023
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine
CID 111229007
3-[2-[[N-[3-(3-methoxyphenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669074
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193839
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 111627456
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111002379
1-(3-ethoxypropyl)-3-[3-(3-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 111224346
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982420
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349501
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110979499
1-[2-[di(propan-2-yl)amino]ethyl]-3-[3-(3-methoxyphenyl)propyl]-2-methylguanidine
CID 111248401
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine
CID 111410613

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine?
The IUPAC name of 1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine (CID 111136425) is 1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine?
The canonical SMILES for 1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine is C/N=C(/NCCCc1cccc(OC)c1)NCCc1ccccc1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine?
The InChIKey is QBDYPLMZSMHYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-21-20(23-15-13-17-8-4-3-5-9-17)22-14-7-11-18-10-6-12-19(16-18)24-2/h3-6,8-10,12,16H,7,11,13-15H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine?
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine has a molecular weight of 325.46 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine is sourced from PubChem (CID 111136425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).