1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine

C20H25N3O2 — CID 111064688

IUPAC1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CC2CCCc3ccccc32)c1
InChIInChI=1S/C20H25N3O2/c1-24-16-10-11-19(25-2)18(12-16)23-20(21)22-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-4,6,9-12,15H,5,7-8,13H2,1-2H3,(H3,21,22,23)
InChIKeyLNOBNQYZISTHOR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.55
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine

1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (PubChem CID 111064688) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
PubChem CID111064688
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CC2CCCc3ccccc32)c1
InChIInChI=1S/C20H25N3O2/c1-24-16-10-11-19(25-2)18(12-16)23-20(21)22-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-4,6,9-12,15H,5,7-8,13H2,1-2H3,(H3,21,22,23)
InChIKeyLNOBNQYZISTHOR-UHFFFAOYSA-N
XLogP3.55
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.55
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

2-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 119146572
1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 111076580
1-(2,5-dimethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]guanidine
CID 122097343
1-(2,5-dimethoxyphenyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111022958
N-(2,5-dimethoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260607
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 119117183
1-butyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide
CID 110062160
1-(2,5-dimethoxyphenyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065745
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 119117954
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111073410
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111067352
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (CID 111064688) is 1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is COc1ccc(OC)c(N/C(N)=N/CC2CCCc3ccccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The InChIKey is LNOBNQYZISTHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-24-16-10-11-19(25-2)18(12-16)23-20(21)22-13-15-8-5-7-14-6-3-4-9-17(14)15/h3-4,6,9-12,15H,5,7-8,13H2,1-2H3,(H3,21,22,23).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
1-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine has a molecular weight of 339.44 g/mol, XLogP of 3.55, 5 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-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 111064688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).