1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine

C22H35ClN4O2 — CID 111658428

IUPAC1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(O)CN1CCOCC1)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H35ClN4O2/c1-3-24-20(25-15-21(2,28)17-27-11-13-29-14-12-27)26-16-22(9-4-10-22)18-5-7-19(23)8-6-18/h5-8,28H,3-4,9-17H2,1-2H3,(H2,24,25,26)
InChIKeyZQMCHVLHUPJHBH-UHFFFAOYSA-N
MW423.00 g/mol
LogP2.40
Rot. Bonds8

About 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine

1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine (PubChem CID 111658428) has the molecular formula C22H35ClN4O2 and a molecular weight of 423.00 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
PubChem CID111658428
Molecular FormulaC22H35ClN4O2
Molecular Weight423.00 g/mol
Exact Mass422.24
IUPAC Name1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(O)CN1CCOCC1)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H35ClN4O2/c1-3-24-20(25-15-21(2,28)17-27-11-13-29-14-12-27)26-16-22(9-4-10-22)18-5-7-19(23)8-6-18/h5-8,28H,3-4,9-17H2,1-2H3,(H2,24,25,26)
InChIKeyZQMCHVLHUPJHBH-UHFFFAOYSA-N
XLogP2.40
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.00
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(4-chlorophenyl)-2-methylpropyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658202
1-[2-(4-chlorophenoxy)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658482
1-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111657208
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111657308
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111098242
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111656197
1-ethyl-3-hexyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658944
1-ethyl-3-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111671804
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658320
1-(2-ethoxyethyl)-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658184
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111657763
1-[(1-benzylpiperidin-2-yl)methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111657274

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine (CID 111658428) is 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)(O)CN1CCOCC1)NCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine?
The InChIKey is ZQMCHVLHUPJHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35ClN4O2/c1-3-24-20(25-15-21(2,28)17-27-11-13-29-14-12-27)26-16-22(9-4-10-22)18-5-7-19(23)8-6-18/h5-8,28H,3-4,9-17H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine?
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine has a molecular weight of 423.00 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111658428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).