1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine

C14H23N3O — CID 110913748

IUPAC1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
SMILESCCNC(=NCCc1ccccc1OC)NCC
InChIInChI=1S/C14H23N3O/c1-4-15-14(16-5-2)17-11-10-12-8-6-7-9-13(12)18-3/h6-9H,4-5,10-11H2,1-3H3,(H2,15,16,17)
InChIKeyYRBSWWXLMRGIQA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds6

About 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine

1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine (PubChem CID 110913748) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
PubChem CID110913748
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
SMILESCCNC(=NCCc1ccccc1OC)NCC
InChIInChI=1S/C14H23N3O/c1-4-15-14(16-5-2)17-11-10-12-8-6-7-9-13(12)18-3/h6-9H,4-5,10-11H2,1-3H3,(H2,15,16,17)
InChIKeyYRBSWWXLMRGIQA-UHFFFAOYSA-N
XLogP1.81
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
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-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110913747
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine
CID 136922921
1-ethyl-3-[2-(3-hydroxyphenyl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111340973
1-ethyl-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111785270
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110996661
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111614344
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713694
2-(2-butoxyethyl)-1-ethyl-3-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111339946
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-phenylmethoxyethyl)guanidine
CID 111964913
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111339350
1,3-diethyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110935047
1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111339587

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine (CID 110913748) is 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine is CCNC(=NCCc1ccccc1OC)NCC.
What is the InChIKey of 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The InChIKey is YRBSWWXLMRGIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-15-14(16-5-2)17-11-10-12-8-6-7-9-13(12)18-3/h6-9H,4-5,10-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine has a molecular weight of 249.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 110913748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).