1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine

C16H26ClN3O2 — CID 109467901

IUPAC1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\N)NCCc1cc(Cl)ccc1OCC
InChIInChI=1S/C16H26ClN3O2/c1-3-21-11-5-9-19-16(18)20-10-8-13-12-14(17)6-7-15(13)22-4-2/h6-7,12H,3-5,8-11H2,1-2H3,(H3,18,19,20)
InChIKeyYQFOGBUPIOVYLY-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.61
Rot. Bonds10

About 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine

1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine (PubChem CID 109467901) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine
PubChem CID109467901
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\N)NCCc1cc(Cl)ccc1OCC
InChIInChI=1S/C16H26ClN3O2/c1-3-21-11-5-9-19-16(18)20-10-8-13-12-14(17)6-7-15(13)22-4-2/h6-7,12H,3-5,8-11H2,1-2H3,(H3,18,19,20)
InChIKeyYQFOGBUPIOVYLY-UHFFFAOYSA-N
XLogP2.61
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.61
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

1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 109467900
1-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111026047
1-[2-(4-chlorophenyl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111024774
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 109467911
2-[2-(5-chloro-2-ethoxyphenyl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 109467868
1-[2-(4-chlorophenoxy)ethyl]-2-(3-ethoxypropyl)guanidine
CID 111032330
1-[2-(2,4-difluorophenoxy)ethyl]-2-(3-ethoxypropyl)guanidine
CID 111752215
2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine
CID 111100210
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
CID 111022885
2-[2-(5-chloro-2-ethoxyphenyl)ethyl]guanidine;hydroiodide
CID 109467659
2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906110
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine?
The IUPAC name of 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine (CID 109467901) is 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine?
The canonical SMILES for 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine is CCOCCC/N=C(\N)NCCc1cc(Cl)ccc1OCC.
What is the InChIKey of 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine?
The InChIKey is YQFOGBUPIOVYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O2/c1-3-21-11-5-9-19-16(18)20-10-8-13-12-14(17)6-7-15(13)22-4-2/h6-7,12H,3-5,8-11H2,1-2H3,(H3,18,19,20).
What are the key properties of 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine?
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine has a molecular weight of 327.86 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 109467901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).