1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine

C20H34N4O2 — CID 111187917

IUPAC1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(COC(C)C)c1)NCCN1CCOCC1
InChIInChI=1S/C20H34N4O2/c1-4-21-20(22-8-9-24-10-12-25-13-11-24)23-15-18-6-5-7-19(14-18)16-26-17(2)3/h5-7,14,17H,4,8-13,15-16H2,1-3H3,(H2,21,22,23)
InChIKeyQEOWKXUCNDYWDL-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.00
Rot. Bonds9

About 1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine

1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine (PubChem CID 111187917) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
PubChem CID111187917
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(COC(C)C)c1)NCCN1CCOCC1
InChIInChI=1S/C20H34N4O2/c1-4-21-20(22-8-9-24-10-12-25-13-11-24)23-15-18-6-5-7-19(14-18)16-26-17(2)3/h5-7,14,17H,4,8-13,15-16H2,1-3H3,(H2,21,22,23)
InChIKeyQEOWKXUCNDYWDL-UHFFFAOYSA-N
XLogP2.00
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.00
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-3-(2-morpholin-4-ylethyl)-2-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111188097
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
CID 111314536
2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 110953548
2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110953547
1-ethyl-3-(3-morpholin-4-ylpropyl)-2-[[3-(oxan-4-yloxymethyl)phenyl]methyl]guanidine
CID 111759033
1-ethyl-2-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111769267
2-[(3-cyanophenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188302
1-ethyl-2-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-propylguanidine
CID 111227205
1-ethyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415496
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972299
1-ethyl-2-[(3-hydroxyphenyl)methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111416289
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111187346

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine (CID 111187917) is 1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine is CCN/C(=N\Cc1cccc(COC(C)C)c1)NCCN1CCOCC1.
What is the InChIKey of 1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine?
The InChIKey is QEOWKXUCNDYWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-4-21-20(22-8-9-24-10-12-25-13-11-24)23-15-18-6-5-7-19(14-18)16-26-17(2)3/h5-7,14,17H,4,8-13,15-16H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine?
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine has a molecular weight of 362.52 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111187917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).