1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride

C20H22ClN3 — CID 22121805

IUPAC1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride
SMILESCc1ccc(C)c(N(C)/C(N)=N/c2cccc3ccccc23)c1.Cl
InChIInChI=1S/C20H21N3.ClH/c1-14-11-12-15(2)19(13-14)23(3)20(21)22-18-10-6-8-16-7-4-5-9-17(16)18;/h4-13H,1-3H3,(H2,21,22);1H
InChIKeyGHBHFKFLIXTKIL-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.96
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride

1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride (PubChem CID 22121805) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride
PubChem CID22121805
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride
SMILESCc1ccc(C)c(N(C)/C(N)=N/c2cccc3ccccc23)c1.Cl
InChIInChI=1S/C20H21N3.ClH/c1-14-11-12-15(2)19(13-14)23(3)20(21)22-18-10-6-8-16-7-4-5-9-17(16)18;/h4-13H,1-3H3,(H2,21,22);1H
InChIKeyGHBHFKFLIXTKIL-UHFFFAOYSA-N
XLogP4.96
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride (CID 22121805) is 1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride is Cc1ccc(C)c(N(C)/C(N)=N/c2cccc3ccccc23)c1.Cl.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride?
The InChIKey is GHBHFKFLIXTKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3.ClH/c1-14-11-12-15(2)19(13-14)23(3)20(21)22-18-10-6-8-16-7-4-5-9-17(16)18;/h4-13H,1-3H3,(H2,21,22);1H.
What are the key properties of 1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride?
1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride is sourced from PubChem (CID 22121805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).