1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

C24H34N4O2 — CID 109417454

IUPAC1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCOCC1)NCC(C)(O)c1ccccc1
InChIInChI=1S/C24H34N4O2/c1-3-25-23(27-19-24(2,29)22-11-5-4-6-12-22)26-17-20-9-7-8-10-21(20)18-28-13-15-30-16-14-28/h4-12,29H,3,13-19H2,1-2H3,(H2,25,26,27)
InChIKeyYBGIHMFPNYAQKH-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.48
Rot. Bonds8

About 1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (PubChem CID 109417454) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
PubChem CID109417454
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCOCC1)NCC(C)(O)c1ccccc1
InChIInChI=1S/C24H34N4O2/c1-3-25-23(27-19-24(2,29)22-11-5-4-6-12-22)26-17-20-9-7-8-10-21(20)18-28-13-15-30-16-14-28/h4-12,29H,3,13-19H2,1-2H3,(H2,25,26,27)
InChIKeyYBGIHMFPNYAQKH-UHFFFAOYSA-N
XLogP2.48
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.48
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

2-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111987858
1-tert-butyl-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 110966606
1-butyl-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111151367
1-(2-cyclopropylethyl)-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111604750
N-[2-[[N-ethyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111375164
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111248849
2-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111755236
1-ethyl-3-(2-ethylsulfonylethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111375760
1-(2-butoxyethyl)-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374885
1-[2-(dimethylamino)-2-phenylethyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111374388
2-[[N-ethyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]-N-phenylacetamide
CID 111375063
2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111313276

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (CID 109417454) is 1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is CCN/C(=N\Cc1ccccc1CN1CCOCC1)NCC(C)(O)c1ccccc1.
What is the InChIKey of 1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The InChIKey is YBGIHMFPNYAQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-3-25-23(27-19-24(2,29)22-11-5-4-6-12-22)26-17-20-9-7-8-10-21(20)18-28-13-15-30-16-14-28/h4-12,29H,3,13-19H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine has a molecular weight of 410.56 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 109417454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).