4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine

C18H26N2O — CID 170870957

IUPAC4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
SMILESCCn1c(C)c(CCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C18H26N2O/c1-3-20-15(2)16(17-7-4-5-9-18(17)20)8-6-10-19-11-13-21-14-12-19/h4-5,7,9H,3,6,8,10-14H2,1-2H3
InChIKeyGGCQHFGBMWAOHH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.23
Rot. Bonds5

About 4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine

4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine (PubChem CID 170870957) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
PubChem CID170870957
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
SMILESCCn1c(C)c(CCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C18H26N2O/c1-3-20-15(2)16(17-7-4-5-9-18(17)20)8-6-10-19-11-13-21-14-12-19/h4-5,7,9H,3,6,8,10-14H2,1-2H3
InChIKeyGGCQHFGBMWAOHH-UHFFFAOYSA-N
XLogP3.23
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine
CID 170871034
4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine
CID 170870910
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
4-[3-(2-ethoxynaphthalen-1-yl)propyl]morpholine
CID 170869209
1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 95426562
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868396
4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine
CID 170870860
4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine
CID 170870926
3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol
CID 110537891
2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 47049412

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine?
The IUPAC name of 4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine (CID 170870957) is 4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine is CCn1c(C)c(CCCN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine?
The InChIKey is GGCQHFGBMWAOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-20-15(2)16(17-7-4-5-9-18(17)20)8-6-10-19-11-13-21-14-12-19/h4-5,7,9H,3,6,8,10-14H2,1-2H3.
What are the key properties of 4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine?
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine has a molecular weight of 286.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine is sourced from PubChem (CID 170870957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).