1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine

C20H27N3O3 — CID 111811230

IUPAC1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CCOc2ccccc2C(C)C)c1
InChIInChI=1S/C20H27N3O3/c1-14(2)16-7-5-6-8-18(16)26-12-11-22-20(21)23-17-13-15(24-3)9-10-19(17)25-4/h5-10,13-14H,11-12H2,1-4H3,(H3,21,22,23)
InChIKeyHFQSCHRUMLZWSO-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.63
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine

1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine (PubChem CID 111811230) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
PubChem CID111811230
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CCOc2ccccc2C(C)C)c1
InChIInChI=1S/C20H27N3O3/c1-14(2)16-7-5-6-8-18(16)26-12-11-22-20(21)23-17-13-15(24-3)9-10-19(17)25-4/h5-10,13-14H,11-12H2,1-4H3,(H3,21,22,23)
InChIKeyHFQSCHRUMLZWSO-UHFFFAOYSA-N
XLogP3.63
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.63
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'}

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Related Compounds

1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
CID 111811244
1-(3-chloro-4-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
CID 111811222
2-[2-(3-chlorophenoxy)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111071449
2-[2-(4-chlorophenoxy)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111032340
2-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036195
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069802
1-(2,5-dimethoxyphenyl)-2-(4-methylpentyl)guanidine;hydroiodide
CID 111054914
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903856
1-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806315
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
2-[3-(2,4-dichlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111085042

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine (CID 111811230) is 1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine is COc1ccc(OC)c(N/C(N)=N/CCOc2ccccc2C(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
The InChIKey is HFQSCHRUMLZWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)16-7-5-6-8-18(16)26-12-11-22-20(21)23-17-13-15(24-3)9-10-19(17)25-4/h5-10,13-14H,11-12H2,1-4H3,(H3,21,22,23).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine?
1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine has a molecular weight of 357.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine is sourced from PubChem (CID 111811230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).