2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine

C15H22N2O — CID 154784835

IUPAC2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine
SMILESCCc1ccc2c(c1)CCN2CC1CNCCO1
InChIInChI=1S/C15H22N2O/c1-2-12-3-4-15-13(9-12)5-7-17(15)11-14-10-16-6-8-18-14/h3-4,9,14,16H,2,5-8,10-11H2,1H3
InChIKeyZVSSAJXHTDQNSN-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.60
Rot. Bonds3

About 2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine

2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine (PubChem CID 154784835) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine
PubChem CID154784835
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine
SMILESCCc1ccc2c(c1)CCN2CC1CNCCO1
InChIInChI=1S/C15H22N2O/c1-2-12-3-4-15-13(9-12)5-7-17(15)11-14-10-16-6-8-18-14/h3-4,9,14,16H,2,5-8,10-11H2,1H3
InChIKeyZVSSAJXHTDQNSN-UHFFFAOYSA-N
XLogP1.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine?
The IUPAC name of 2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine (CID 154784835) is 2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine.
What is the SMILES notation for 2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine?
The canonical SMILES for 2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine is CCc1ccc2c(c1)CCN2CC1CNCCO1.
What is the InChIKey of 2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine?
The InChIKey is ZVSSAJXHTDQNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-12-3-4-15-13(9-12)5-7-17(15)11-14-10-16-6-8-18-14/h3-4,9,14,16H,2,5-8,10-11H2,1H3.
What are the key properties of 2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine?
2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine has a molecular weight of 246.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2,3-dihydroindol-1-yl)methyl]morpholine is sourced from PubChem (CID 154784835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).