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

C20H34N4O2 — CID 111188273

IUPAC1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(OCC(C)C)cc1)NCCN1CCOCC1
InChIInChI=1S/C20H34N4O2/c1-4-21-20(22-9-10-24-11-13-25-14-12-24)23-15-18-5-7-19(8-6-18)26-16-17(2)3/h5-8,17H,4,9-16H2,1-3H3,(H2,21,22,23)
InChIKeyGLNHGXMZOWUMIX-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.11
Rot. Bonds9

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

1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111188273) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111188273
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(OCC(C)C)cc1)NCCN1CCOCC1
InChIInChI=1S/C20H34N4O2/c1-4-21-20(22-9-10-24-11-13-25-14-12-24)23-15-18-5-7-19(8-6-18)26-16-17(2)3/h5-8,17H,4,9-16H2,1-3H3,(H2,21,22,23)
InChIKeyGLNHGXMZOWUMIX-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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-[[4-(2-methylpropoxy)phenyl]methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972984
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187870
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
methyl 4-[[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]methyl]benzoate;hydroiodide
CID 111162388
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
CID 111187917
2-[(4-ethoxy-3-fluorophenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111833212
1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415088
1-ethyl-3-(4-methylpentyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111943045
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111188291
N,N-diethyl-4-[[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111187330
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972285

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine (CID 111188273) is 1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine is CCN/C(=N\Cc1ccc(OCC(C)C)cc1)NCCN1CCOCC1.
What is the InChIKey of 1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is GLNHGXMZOWUMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-4-21-20(22-9-10-24-11-13-25-14-12-24)23-15-18-5-7-19(8-6-18)26-16-17(2)3/h5-8,17H,4,9-16H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine?
1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 362.52 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111188273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).