4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine

C23H28N2O2 — CID 170870910

IUPAC4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine
SMILESCc1ccc(Oc2c(CCCN3CCOCC3)c3ccccc3n2C)cc1
InChIInChI=1S/C23H28N2O2/c1-18-9-11-19(12-10-18)27-23-21(7-5-13-25-14-16-26-17-15-25)20-6-3-4-8-22(20)24(23)2/h3-4,6,8-12H,5,7,13-17H2,1-2H3
InChIKeyXLCGLGJUMJRJGY-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.54
Rot. Bonds6

About 4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine

4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine (PubChem CID 170870910) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine
PubChem CID170870910
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine
SMILESCc1ccc(Oc2c(CCCN3CCOCC3)c3ccccc3n2C)cc1
InChIInChI=1S/C23H28N2O2/c1-18-9-11-19(12-10-18)27-23-21(7-5-13-25-14-16-26-17-15-25)20-6-3-4-8-22(20)24(23)2/h3-4,6,8-12H,5,7,13-17H2,1-2H3
InChIKeyXLCGLGJUMJRJGY-UHFFFAOYSA-N
XLogP4.54
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine
CID 170870926
2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868356
1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864366
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
4-[3-(1-methylindol-4-yl)propyl]morpholine
CID 170870710
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
4-[3-(2-fluoro-6-phenoxyphenyl)propyl]morpholine
CID 170869692
4-[3-(2-ethoxynaphthalen-1-yl)propyl]morpholine
CID 170869209
1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 95426562
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[3-[3-(4-methylphenyl)phenyl]propyl]morpholine
CID 170869539

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine?
The IUPAC name of 4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine (CID 170870910) is 4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine is Cc1ccc(Oc2c(CCCN3CCOCC3)c3ccccc3n2C)cc1.
What is the InChIKey of 4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine?
The InChIKey is XLCGLGJUMJRJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18-9-11-19(12-10-18)27-23-21(7-5-13-25-14-16-26-17-15-25)20-6-3-4-8-22(20)24(23)2/h3-4,6,8-12H,5,7,13-17H2,1-2H3.
What are the key properties of 4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine?
4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine has a molecular weight of 364.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine is sourced from PubChem (CID 170870910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).