1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide

C19H26IN3O3 — CID 111806543

IUPAC1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1cc(OC)c(CC/N=C(\N)Nc2ccc(C)cc2)c(OC)c1.I
InChIInChI=1S/C19H25N3O3.HI/c1-13-5-7-14(8-6-13)22-19(20)21-10-9-16-17(24-3)11-15(23-2)12-18(16)25-4;/h5-8,11-12H,9-10H2,1-4H3,(H3,20,21,22);1H
InChIKeyOUBNVCLIZVOJBD-UHFFFAOYSA-N
MW471.34 g/mol
LogP3.61
Rot. Bonds7

About 1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide

1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111806543) has the molecular formula C19H26IN3O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
PubChem CID111806543
Molecular FormulaC19H26IN3O3
Molecular Weight471.34 g/mol
Exact Mass471.10
IUPAC Name1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCOc1cc(OC)c(CC/N=C(\N)Nc2ccc(C)cc2)c(OC)c1.I
InChIInChI=1S/C19H25N3O3.HI/c1-13-5-7-14(8-6-13)22-19(20)21-10-9-16-17(24-3)11-15(23-2)12-18(16)25-4;/h5-8,11-12H,9-10H2,1-4H3,(H3,20,21,22);1H
InChIKeyOUBNVCLIZVOJBD-UHFFFAOYSA-N
XLogP3.61
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 53.61
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
CID 111806552
1-tert-butyl-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806571
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111100207
1-(4-methoxyphenyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111080336
1-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine;hydroiodide
CID 111806681
1-(3,5-dimethylphenyl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111034928
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111024092
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
1-(3,4-dimethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]guanidine
CID 111032652
1-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046945
1-(3,4-dimethoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077752
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine
CID 111812347

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide (CID 111806543) is 1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide is COc1cc(OC)c(CC/N=C(\N)Nc2ccc(C)cc2)c(OC)c1.I.
What is the InChIKey of 1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is OUBNVCLIZVOJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.HI/c1-13-5-7-14(8-6-13)22-19(20)21-10-9-16-17(24-3)11-15(23-2)12-18(16)25-4;/h5-8,11-12H,9-10H2,1-4H3,(H3,20,21,22);1H.
What are the key properties of 1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide?
1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 471.34 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111806543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).