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

C19H32N4O3 — CID 111780371

IUPAC1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCc1ccc(OC)cc1O
InChIInChI=1S/C19H32N4O3/c1-4-20-19(22-14-15(2)23-9-11-26-12-10-23)21-8-7-16-5-6-17(25-3)13-18(16)24/h5-6,13,15,24H,4,7-12,14H2,1-3H3,(H2,20,21,22)
InChIKeyCBHBFIDOFATEIZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.22
Rot. Bonds8

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

1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111780371) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111780371
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCc1ccc(OC)cc1O
InChIInChI=1S/C19H32N4O3/c1-4-20-19(22-14-15(2)23-9-11-26-12-10-23)21-8-7-16-5-6-17(25-3)13-18(16)24/h5-6,13,15,24H,4,7-12,14H2,1-3H3,(H2,20,21,22)
InChIKeyCBHBFIDOFATEIZ-UHFFFAOYSA-N
XLogP1.22
TPSA78.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.22
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-ethyl-3-[3-(4-methoxyphenyl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022138
N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111020931
1-ethyl-3-[2-(4-methoxyphenoxy)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111787870
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021468
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111931642
1-ethyl-3-[2-(3-methylphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021774
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021480
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021952
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022150
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111170502
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine (CID 111780371) is 1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NCCc1ccc(OC)cc1O.
What is the InChIKey of 1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is CBHBFIDOFATEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-4-20-19(22-14-15(2)23-9-11-26-12-10-23)21-8-7-16-5-6-17(25-3)13-18(16)24/h5-6,13,15,24H,4,7-12,14H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 364.49 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111780371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).