4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine

C16H22N2O2 — CID 19438809

IUPAC4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
SMILESCOc1ccc2[nH]c(C)c(CCN3CCOCC3)c2c1
InChIInChI=1S/C16H22N2O2/c1-12-14(5-6-18-7-9-20-10-8-18)15-11-13(19-2)3-4-16(15)17-12/h3-4,11,17H,5-10H2,1-2H3
InChIKeyIHLVWIJCVHTBNC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.36
Rot. Bonds4

About 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine

4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine (PubChem CID 19438809) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
PubChem CID19438809
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
SMILESCOc1ccc2[nH]c(C)c(CCN3CCOCC3)c2c1
InChIInChI=1S/C16H22N2O2/c1-12-14(5-6-18-7-9-20-10-8-18)15-11-13(19-2)3-4-16(15)17-12/h3-4,11,17H,5-10H2,1-2H3
InChIKeyIHLVWIJCVHTBNC-UHFFFAOYSA-N
XLogP2.36
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine (CID 19438809) is 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine is COc1ccc2[nH]c(C)c(CCN3CCOCC3)c2c1.
What is the InChIKey of 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine?
The InChIKey is IHLVWIJCVHTBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-14(5-6-18-7-9-20-10-8-18)15-11-13(19-2)3-4-16(15)17-12/h3-4,11,17H,5-10H2,1-2H3.
What are the key properties of 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine?
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine has a molecular weight of 274.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine is sourced from PubChem (CID 19438809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).