2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine

C15H25N3O3 — CID 111100210

IUPAC2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine
SMILESCCOCCC/N=C(\N)NCCc1cccc(OC)c1O
InChIInChI=1S/C15H25N3O3/c1-3-21-11-5-9-17-15(16)18-10-8-12-6-4-7-13(20-2)14(12)19/h4,6-7,19H,3,5,8-11H2,1-2H3,(H3,16,17,18)
InChIKeyASCVRZNXLJFFGI-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.27
Rot. Bonds9

About 2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine

2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine (PubChem CID 111100210) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine
PubChem CID111100210
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine
SMILESCCOCCC/N=C(\N)NCCc1cccc(OC)c1O
InChIInChI=1S/C15H25N3O3/c1-3-21-11-5-9-17-15(16)18-10-8-12-6-4-7-13(20-2)14(12)19/h4,6-7,19H,3,5,8-11H2,1-2H3,(H3,16,17,18)
InChIKeyASCVRZNXLJFFGI-UHFFFAOYSA-N
XLogP1.27
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111100195
1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111100212
2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine
CID 111100224
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
CID 111022885
2-(3-ethoxypropyl)-1-[2-(3-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111035389
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine
CID 109467901
2-[(2-hydroxy-3-methoxyphenyl)methyl]-1-(2-phenylethyl)guanidine
CID 111099940
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 109467900
1-[2-(4-chlorophenyl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111024774
2-(3-ethoxypropyl)-1-[2-(4-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111036221
2-[3-(2,6-dimethylphenoxy)propyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111079696
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111071289

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine (CID 111100210) is 2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine is CCOCCC/N=C(\N)NCCc1cccc(OC)c1O.
What is the InChIKey of 2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine?
The InChIKey is ASCVRZNXLJFFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-21-11-5-9-17-15(16)18-10-8-12-6-4-7-13(20-2)14(12)19/h4,6-7,19H,3,5,8-11H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine?
2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine has a molecular weight of 295.38 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111100210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).