2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine

C23H32N4O2 — CID 111084119

IUPAC2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/Cc2ccccc2OCCN2CCOCC2)c1
InChIInChI=1S/C23H32N4O2/c1-18(2)19-7-5-8-21(16-19)26-23(24)25-17-20-6-3-4-9-22(20)29-15-12-27-10-13-28-14-11-27/h3-9,16,18H,10-15,17H2,1-2H3,(H3,24,25,26)
InChIKeyMSGHAPYIULKBOO-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.45
Rot. Bonds8

About 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine

2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111084119) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111084119
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/Cc2ccccc2OCCN2CCOCC2)c1
InChIInChI=1S/C23H32N4O2/c1-18(2)19-7-5-8-21(16-19)26-23(24)25-17-20-6-3-4-9-22(20)29-15-12-27-10-13-28-14-11-27/h3-9,16,18H,10-15,17H2,1-2H3,(H3,24,25,26)
InChIKeyMSGHAPYIULKBOO-UHFFFAOYSA-N
XLogP3.45
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.45
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-(4-ethylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111084102
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111084027
1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111084070
1-(3-ethoxypropyl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111084097
2-[(4-morpholin-4-ylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111063127
1,3-diethyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918578
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111084139
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111041525
2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111074543
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084138
2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111027042
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111028105

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine (CID 111084119) is 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine is CC(C)c1cccc(N/C(N)=N/Cc2ccccc2OCCN2CCOCC2)c1.
What is the InChIKey of 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is MSGHAPYIULKBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18(2)19-7-5-8-21(16-19)26-23(24)25-17-20-6-3-4-9-22(20)29-15-12-27-10-13-28-14-11-27/h3-9,16,18H,10-15,17H2,1-2H3,(H3,24,25,26).
What are the key properties of 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine?
2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 396.54 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111084119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).