1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide

C15H19ClIN3S — CID 111044377

IUPAC1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1cccs1)NCCc1ccccc1Cl
InChIInChI=1S/C15H18ClN3S.HI/c16-14-6-2-1-4-12(14)7-9-18-15(17)19-10-8-13-5-3-11-20-13;/h1-6,11H,7-10H2,(H3,17,18,19);1H
InChIKeyJJVFOXYNMITMOI-UHFFFAOYSA-N
MW435.76 g/mol
LogP3.71
Rot. Bonds6

About 1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide

1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 111044377) has the molecular formula C15H19ClIN3S and a molecular weight of 435.76 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
PubChem CID111044377
Molecular FormulaC15H19ClIN3S
Molecular Weight435.76 g/mol
Exact Mass435.00
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1cccs1)NCCc1ccccc1Cl
InChIInChI=1S/C15H18ClN3S.HI/c16-14-6-2-1-4-12(14)7-9-18-15(17)19-10-8-13-5-3-11-20-13;/h1-6,11H,7-10H2,(H3,17,18,19);1H
InChIKeyJJVFOXYNMITMOI-UHFFFAOYSA-N
XLogP3.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.76
LogP ≤ 53.71
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111043298
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351239
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111351240
1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111100212
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111800554
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 109467911
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
methyl 3-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111063902
4-chloro-N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide;hydrobromide
CID 138996591
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111818046

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide (CID 111044377) is 1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide is I.N/C(=N\CCc1cccs1)NCCc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is JJVFOXYNMITMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S.HI/c16-14-6-2-1-4-12(14)7-9-18-15(17)19-10-8-13-5-3-11-20-13;/h1-6,11H,7-10H2,(H3,17,18,19);1H.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 435.76 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111044377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).