2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine

C20H27N3O2 — CID 111812347

IUPAC2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine
SMILESCCOc1cc(CCC/N=C(\N)Nc2ccc(C)cc2)ccc1OC
InChIInChI=1S/C20H27N3O2/c1-4-25-19-14-16(9-12-18(19)24-3)6-5-13-22-20(21)23-17-10-7-15(2)8-11-17/h7-12,14H,4-6,13H2,1-3H3,(H3,21,22,23)
InChIKeyHTKBGTRRWVGURM-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.76
Rot. Bonds8

About 2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine

2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine (PubChem CID 111812347) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine
PubChem CID111812347
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine
SMILESCCOc1cc(CCC/N=C(\N)Nc2ccc(C)cc2)ccc1OC
InChIInChI=1S/C20H27N3O2/c1-4-25-19-14-16(9-12-18(19)24-3)6-5-13-22-20(21)23-17-10-7-15(2)8-11-17/h7-12,14H,4-6,13H2,1-3H3,(H3,21,22,23)
InChIKeyHTKBGTRRWVGURM-UHFFFAOYSA-N
XLogP3.76
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.76
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-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111809128
2-[(3-ethoxy-4-hydroxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111101219
1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111575006
1-(3,4-dimethylphenyl)-2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111809081
2-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111026069
2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111049662
1-(4-ethylphenyl)-2-[3-(3-methoxyphenyl)propyl]guanidine
CID 111099326
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-3-ethyl-1,1-dimethylguanidine
CID 111574965
1-(2,5-diethoxyphenyl)-2-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111813881
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-ethyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111827808
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111812324
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine
CID 111812363

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine (CID 111812347) is 2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine is CCOc1cc(CCC/N=C(\N)Nc2ccc(C)cc2)ccc1OC.
What is the InChIKey of 2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine?
The InChIKey is HTKBGTRRWVGURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-25-19-14-16(9-12-18(19)24-3)6-5-13-22-20(21)23-17-10-7-15(2)8-11-17/h7-12,14H,4-6,13H2,1-3H3,(H3,21,22,23).
What are the key properties of 2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine?
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine has a molecular weight of 341.46 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 111812347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).