1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine

C23H41N5O2 — CID 111658024

IUPAC1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(O)CN1CCOCC1)NCC(c1ccc(CC)cc1)N(C)C
InChIInChI=1S/C23H41N5O2/c1-6-19-8-10-20(11-9-19)21(27(4)5)16-25-22(24-7-2)26-17-23(3,29)18-28-12-14-30-15-13-28/h8-11,21,29H,6-7,12-18H2,1-5H3,(H2,24,25,26)
InChIKeyFUKLCHRXVKPUFA-UHFFFAOYSA-N
MW419.61 g/mol
LogP1.49
Rot. Bonds10

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

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine (PubChem CID 111658024) has the molecular formula C23H41N5O2 and a molecular weight of 419.61 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
PubChem CID111658024
Molecular FormulaC23H41N5O2
Molecular Weight419.61 g/mol
Exact Mass419.33
IUPAC Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(O)CN1CCOCC1)NCC(c1ccc(CC)cc1)N(C)C
InChIInChI=1S/C23H41N5O2/c1-6-19-8-10-20(11-9-19)21(27(4)5)16-25-22(24-7-2)26-17-23(3,29)18-28-12-14-30-15-13-28/h8-11,21,29H,6-7,12-18H2,1-5H3,(H2,24,25,26)
InChIKeyFUKLCHRXVKPUFA-UHFFFAOYSA-N
XLogP1.49
TPSA72.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658032
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111658031
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111658025
1-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314474
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111313813
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine
CID 111658430
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111658033
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658406
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 111657893
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111657424
1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022101
1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658890

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine (CID 111658024) is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)(O)CN1CCOCC1)NCC(c1ccc(CC)cc1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine?
The InChIKey is FUKLCHRXVKPUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N5O2/c1-6-19-8-10-20(11-9-19)21(27(4)5)16-25-22(24-7-2)26-17-23(3,29)18-28-12-14-30-15-13-28/h8-11,21,29H,6-7,12-18H2,1-5H3,(H2,24,25,26).
What are the key properties of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine?
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine has a molecular weight of 419.61 g/mol, XLogP of 1.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111658024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).