1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine

C15H19N3S — CID 111816840

IUPAC1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine
SMILESCc1cccc(N/C(N)=N/CC(C)c2cccs2)c1
InChIInChI=1S/C15H19N3S/c1-11-5-3-6-13(9-11)18-15(16)17-10-12(2)14-7-4-8-19-14/h3-9,12H,10H2,1-2H3,(H3,16,17,18)
InChIKeyBOXAFMOASNSTAB-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.59
Rot. Bonds4

About 1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine

1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine (PubChem CID 111816840) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine
PubChem CID111816840
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine
SMILESCc1cccc(N/C(N)=N/CC(C)c2cccs2)c1
InChIInChI=1S/C15H19N3S/c1-11-5-3-6-13(9-11)18-15(16)17-10-12(2)14-7-4-8-19-14/h3-9,12H,10H2,1-2H3,(H3,16,17,18)
InChIKeyBOXAFMOASNSTAB-UHFFFAOYSA-N
XLogP3.59
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(3-methylphenyl)propyl]-1-phenylguanidine
CID 111459323
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 119142402
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine
CID 47086547
1-(3-methylphenyl)-2-(thiophen-3-ylmethyl)guanidine
CID 111052104
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-2-ylpropyl)guanidine
CID 111816848
1-(3-methylphenyl)-2-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]guanidine;hydroiodide
CID 119942640
1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027009
2-(3-hydroxypropyl)-1-(3-methylphenyl)guanidine
CID 111023654
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
1-(3-methylphenyl)-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 119142397
1-(2,5-diethoxyphenyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111816925
2-[3-[di(propan-2-yl)amino]propyl]-1-(3-methylphenyl)guanidine
CID 111821723

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine (CID 111816840) is 1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine is Cc1cccc(N/C(N)=N/CC(C)c2cccs2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine?
The InChIKey is BOXAFMOASNSTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11-5-3-6-13(9-11)18-15(16)17-10-12(2)14-7-4-8-19-14/h3-9,12H,10H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine?
1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine has a molecular weight of 273.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 111816840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).