2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine

C20H28N4OS — CID 111054825

IUPAC2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESCc1cccc(C(C/N=C(\N)NCCc2cccs2)N2CCOCC2)c1
InChIInChI=1S/C20H28N4OS/c1-16-4-2-5-17(14-16)19(24-9-11-25-12-10-24)15-23-20(21)22-8-7-18-6-3-13-26-18/h2-6,13-14,19H,7-12,15H2,1H3,(H3,21,22,23)
InChIKeyPXCKJLGRUYJIBF-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.58
Rot. Bonds7

About 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine

2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111054825) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID111054825
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESCc1cccc(C(C/N=C(\N)NCCc2cccs2)N2CCOCC2)c1
InChIInChI=1S/C20H28N4OS/c1-16-4-2-5-17(14-16)19(24-9-11-25-12-10-24)15-23-20(21)22-8-7-18-6-3-13-26-18/h2-6,13-14,19H,7-12,15H2,1H3,(H3,21,22,23)
InChIKeyPXCKJLGRUYJIBF-UHFFFAOYSA-N
XLogP2.58
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111085609
1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054817
1-[2-(4-methoxyphenyl)ethyl]-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 110925402
2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111037591
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
1-(cyclobutylmethyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054851
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
1-(cyclobutylmethyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054850
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111041502
1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054829
1-ethyl-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111259389
2-methyl-1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258202

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine (CID 111054825) is 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine is Cc1cccc(C(C/N=C(\N)NCCc2cccs2)N2CCOCC2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is PXCKJLGRUYJIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-16-4-2-5-17(14-16)19(24-9-11-25-12-10-24)15-23-20(21)22-8-7-18-6-3-13-26-18/h2-6,13-14,19H,7-12,15H2,1H3,(H3,21,22,23).
What are the key properties of 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine?
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 372.54 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111054825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).