1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine

C15H19N3S — CID 111030708

IUPAC1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CCc2cccs2)c1
InChIInChI=1S/C15H19N3S/c1-2-12-5-3-6-13(11-12)18-15(16)17-9-8-14-7-4-10-19-14/h3-7,10-11H,2,8-9H2,1H3,(H3,16,17,18)
InChIKeySMSKHNAFINPDGN-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.28
Rot. Bonds5

About 1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine

1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111030708) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine
PubChem CID111030708
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CCc2cccs2)c1
InChIInChI=1S/C15H19N3S/c1-2-12-5-3-6-13(11-12)18-15(16)17-9-8-14-7-4-10-19-14/h3-7,10-11H,2,8-9H2,1H3,(H3,16,17,18)
InChIKeySMSKHNAFINPDGN-UHFFFAOYSA-N
XLogP3.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.28
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

1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111026478
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111026477
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
2-[(5-bromothiophen-2-yl)methyl]-1-(3-ethylphenyl)guanidine
CID 111066974
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031276
1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111802467
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine
CID 111090499
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111090498
methyl 5-[[amino-(3-ethylanilino)methylidene]amino]pentanoate
CID 111086133
1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111069292

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine (CID 111030708) is 1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine is CCc1cccc(N/C(N)=N/CCc2cccs2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is SMSKHNAFINPDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-12-5-3-6-13(11-12)18-15(16)17-9-8-14-7-4-10-19-14/h3-7,10-11H,2,8-9H2,1H3,(H3,16,17,18).
What are the key properties of 1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine?
1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 273.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111030708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).