1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine

C14H17N3OS — CID 111030682

IUPAC1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/CCc1cccs1
InChIInChI=1S/C14H17N3OS/c1-18-13-7-3-2-6-12(13)17-14(15)16-9-8-11-5-4-10-19-11/h2-7,10H,8-9H2,1H3,(H3,15,16,17)
InChIKeyMQMDSQUVDWSKSQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.73
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine

1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111030682) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
PubChem CID111030682
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/CCc1cccs1
InChIInChI=1S/C14H17N3OS/c1-18-13-7-3-2-6-12(13)17-14(15)16-9-8-11-5-4-10-19-11/h2-7,10H,8-9H2,1H3,(H3,15,16,17)
InChIKeyMQMDSQUVDWSKSQ-UHFFFAOYSA-N
XLogP2.73
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.73
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

1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111041271
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111100183
1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111100212
1-(2-methoxyphenyl)-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063389
2-[2-(benzenesulfinyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111809871
1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077718
2-[2-(2,4-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111801626
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine (CID 111030682) is 1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine is COc1ccccc1N/C(N)=N/CCc1cccs1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is MQMDSQUVDWSKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-18-13-7-3-2-6-12(13)17-14(15)16-9-8-11-5-4-10-19-11/h2-7,10H,8-9H2,1H3,(H3,15,16,17).
What are the key properties of 1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine?
1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 275.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111030682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).