2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine

C19H33N3O2 — CID 111224081

IUPAC2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCCOCC)NCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H33N3O2/c1-5-20-19(21-13-7-15-23-6-2)22-14-12-17-8-10-18(11-9-17)24-16(3)4/h8-11,16H,5-7,12-15H2,1-4H3,(H2,20,21,22)
InChIKeyLEOXGMBONZEZER-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.00
Rot. Bonds11

About 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine

2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine (PubChem CID 111224081) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
PubChem CID111224081
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCCOCC)NCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H33N3O2/c1-5-20-19(21-13-7-15-23-6-2)22-14-12-17-8-10-18(11-9-17)24-16(3)4/h8-11,16H,5-7,12-15H2,1-4H3,(H2,20,21,22)
InChIKeyLEOXGMBONZEZER-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170975
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170429
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111213091
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 111356537
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111223071
N-[4-[2-[[N'-(4-ethoxybutyl)-N-ethylcarbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111944142
2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111223168
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
1-(4-ethoxybutyl)-3-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 109494279
3-[2-[[N-ethyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633811
1-cyclopropyl-3-ethyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 110987715
1-butan-2-yl-3-ethyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 110943049

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?
The IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine (CID 111224081) is 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?
The canonical SMILES for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine is CCN/C(=N\CCCOCC)NCCc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?
The InChIKey is LEOXGMBONZEZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-20-19(21-13-7-15-23-6-2)22-14-12-17-8-10-18(11-9-17)24-16(3)4/h8-11,16H,5-7,12-15H2,1-4H3,(H2,20,21,22).
What are the key properties of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?
2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine has a molecular weight of 335.49 g/mol, XLogP of 3.00, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111224081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).