1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine

C19H32N4O2 — CID 111187223

IUPAC1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)c1ccccc1OC)NCCN1CCOCC1
InChIInChI=1S/C19H32N4O2/c1-4-20-19(21-9-10-23-11-13-25-14-12-23)22-15-16(2)17-7-5-6-8-18(17)24-3/h5-8,16H,4,9-15H2,1-3H3,(H2,20,21,22)
InChIKeyBKFUEQUOXTUKDB-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.69
Rot. Bonds8

About 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine

1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111187223) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111187223
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)c1ccccc1OC)NCCN1CCOCC1
InChIInChI=1S/C19H32N4O2/c1-4-20-19(21-9-10-23-11-13-25-14-12-23)22-15-16(2)17-7-5-6-8-18(17)24-3/h5-8,16H,4,9-15H2,1-3H3,(H2,20,21,22)
InChIKeyBKFUEQUOXTUKDB-UHFFFAOYSA-N
XLogP1.69
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
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-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111494298
1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide
CID 111225492
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(2-methoxyphenyl)propyl]guanidine
CID 111658430
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188188
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972505
1-ethyl-2-[[2-(3-methylbutoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111188175
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111188142
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021679
1-butan-2-yl-3-ethyl-2-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 110945323
2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 110953548
1-ethyl-2-[2-(3-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111494306
N-[2-[[N-ethyl-N'-[2-(2-methoxyphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111928297

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine (CID 111187223) is 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine is CCN/C(=N\CC(C)c1ccccc1OC)NCCN1CCOCC1.
What is the InChIKey of 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is BKFUEQUOXTUKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-20-19(21-9-10-23-11-13-25-14-12-23)22-15-16(2)17-7-5-6-8-18(17)24-3/h5-8,16H,4,9-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine?
1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 348.49 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111187223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).