1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine

C21H23N3O2 — CID 111069802

IUPAC1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CCc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H23N3O2/c1-25-18-9-10-20(26-2)19(14-18)24-21(22)23-12-11-15-7-8-16-5-3-4-6-17(16)13-15/h3-10,13-14H,11-12H2,1-2H3,(H3,22,23,24)
InChIKeyZLCJCRBYDXDYBJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.83
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine

1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine (PubChem CID 111069802) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
PubChem CID111069802
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CCc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H23N3O2/c1-25-18-9-10-20(26-2)19(14-18)24-21(22)23-12-11-15-7-8-16-5-3-4-6-17(16)13-15/h3-10,13-14H,11-12H2,1-2H3,(H3,22,23,24)
InChIKeyZLCJCRBYDXDYBJ-UHFFFAOYSA-N
XLogP3.83
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
1-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806315
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
CID 111069787
1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
CID 111811230
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111024092
1-(2,5-dimethoxyphenyl)-2-(4-methylpentyl)guanidine;hydroiodide
CID 111054914
1-(2,5-diethoxyphenyl)-2-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111813881
2-(2-naphthalen-2-ylethyl)-1-phenylguanidine
CID 110926253
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803
2-(2-benzylsulfinylethyl)-1-(2,5-dimethoxyphenyl)guanidine
CID 111807830
1-(2,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine
CID 111032776

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine (CID 111069802) is 1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine is COc1ccc(OC)c(N/C(N)=N/CCc2ccc3ccccc3c2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine?
The InChIKey is ZLCJCRBYDXDYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-18-9-10-20(26-2)19(14-18)24-21(22)23-12-11-15-7-8-16-5-3-4-6-17(16)13-15/h3-10,13-14H,11-12H2,1-2H3,(H3,22,23,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine?
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine has a molecular weight of 349.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine is sourced from PubChem (CID 111069802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).