1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine

C20H27N3O3 — CID 111806552

IUPAC1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
SMILESCOc1cc(OC)c(CC/N=C(\N)Nc2cc(C)cc(C)c2)c(OC)c1
InChIInChI=1S/C20H27N3O3/c1-13-8-14(2)10-15(9-13)23-20(21)22-7-6-17-18(25-4)11-16(24-3)12-19(17)26-5/h8-12H,6-7H2,1-5H3,(H3,21,22,23)
InChIKeyVYJGMBHNBOELNY-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.30
Rot. Bonds7

About 1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine

1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine (PubChem CID 111806552) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
PubChem CID111806552
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
SMILESCOc1cc(OC)c(CC/N=C(\N)Nc2cc(C)cc(C)c2)c(OC)c1
InChIInChI=1S/C20H27N3O3/c1-13-8-14(2)10-15(9-13)23-20(21)22-7-6-17-18(25-4)11-16(24-3)12-19(17)26-5/h8-12H,6-7H2,1-5H3,(H3,21,22,23)
InChIKeyVYJGMBHNBOELNY-UHFFFAOYSA-N
XLogP3.30
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806543
1-tert-butyl-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806571
1-(3,5-dimethylphenyl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111034928
2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806555
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine
CID 111098917
2-[2-(4-chlorophenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111024765
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111024092
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055676
2-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-(3,5-dimethylphenyl)guanidine
CID 111819740
1-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine;hydroiodide
CID 111806681
methyl 5-[[amino-(3,5-dimethylanilino)methylidene]amino]pentanoate
CID 111086101
1-(3,5-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111095707

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine (CID 111806552) is 1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine is COc1cc(OC)c(CC/N=C(\N)Nc2cc(C)cc(C)c2)c(OC)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
The InChIKey is VYJGMBHNBOELNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13-8-14(2)10-15(9-13)23-20(21)22-7-6-17-18(25-4)11-16(24-3)12-19(17)26-5/h8-12H,6-7H2,1-5H3,(H3,21,22,23).
What are the key properties of 1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine has a molecular weight of 357.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111806552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).