1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

C16H25ClN4O2 — CID 111071441

IUPAC1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN4O2/c17-14-3-1-4-15(13-14)23-10-6-20-16(18)19-5-2-7-21-8-11-22-12-9-21/h1,3-4,13H,2,5-12H2,(H3,18,19,20)
InChIKeyPTPGZVHHWZGSIC-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.35
Rot. Bonds8

About 1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111071441) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111071441
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN4O2/c17-14-3-1-4-15(13-14)23-10-6-20-16(18)19-5-2-7-21-8-11-22-12-9-21/h1,3-4,13H,2,5-12H2,(H3,18,19,20)
InChIKeyPTPGZVHHWZGSIC-UHFFFAOYSA-N
XLogP1.35
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.35
H-Bond Donors ≤ 52
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

1-[2-(4-methoxyphenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111036224
2-(3-morpholin-4-ylpropyl)-1-[2-(2-phenylphenoxy)ethyl]guanidine;hydroiodide
CID 111084976
1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111033008
2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111600639
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111588298
1-(3-ethoxypropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111084185
2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine
CID 111069794
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
CID 110972471
2-[3-(3-bromophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111807979
2-(3-morpholin-4-ylpropyl)-1-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 111068945
1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111023497
1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111074957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (CID 111071441) is 1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is N/C(=N\CCCN1CCOCC1)NCCOc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is PTPGZVHHWZGSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c17-14-3-1-4-15(13-14)23-10-6-20-16(18)19-5-2-7-21-8-11-22-12-9-21/h1,3-4,13H,2,5-12H2,(H3,18,19,20).
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 340.86 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111071441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).