2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine

C17H23NO2 — CID 3054414

IUPAC2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(COc2cccc3c2C=CC3)C1
InChIInChI=1S/C17H23NO2/c1-13(2)18-9-10-19-15(11-18)12-20-17-8-4-6-14-5-3-7-16(14)17/h3-4,6-8,13,15H,5,9-12H2,1-2H3
InChIKeyYFDFXQFRLVHLOA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.74
Rot. Bonds4

About 2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine

2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine (PubChem CID 3054414) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine
PubChem CID3054414
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(COc2cccc3c2C=CC3)C1
InChIInChI=1S/C17H23NO2/c1-13(2)18-9-10-19-15(11-18)12-20-17-8-4-6-14-5-3-7-16(14)17/h3-4,6-8,13,15H,5,9-12H2,1-2H3
InChIKeyYFDFXQFRLVHLOA-UHFFFAOYSA-N
XLogP2.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine (CID 3054414) is 2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(COc2cccc3c2C=CC3)C1.
What is the InChIKey of 2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine?
The InChIKey is YFDFXQFRLVHLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(2)18-9-10-19-15(11-18)12-20-17-8-4-6-14-5-3-7-16(14)17/h3-4,6-8,13,15H,5,9-12H2,1-2H3.
What are the key properties of 2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine?
2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine has a molecular weight of 273.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 3054414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).