[3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol

C18H25NO3 — CID 154743265

IUPAC[3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol
SMILESOCC1(CNC2c3ccccc3CC23CCOCC3)COC1
InChIInChI=1S/C18H25NO3/c20-11-17(12-22-13-17)10-19-16-15-4-2-1-3-14(15)9-18(16)5-7-21-8-6-18/h1-4,16,19-20H,5-13H2
InChIKeyICSDTIJKUTXUQO-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.68
Rot. Bonds4

About [3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol

[3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol (PubChem CID 154743265) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol
PubChem CID154743265
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol
SMILESOCC1(CNC2c3ccccc3CC23CCOCC3)COC1
InChIInChI=1S/C18H25NO3/c20-11-17(12-22-13-17)10-19-16-15-4-2-1-3-14(15)9-18(16)5-7-21-8-6-18/h1-4,16,19-20H,5-13H2
InChIKeyICSDTIJKUTXUQO-UHFFFAOYSA-N
XLogP1.68
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol (CID 154743265) is [3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol is OCC1(CNC2c3ccccc3CC23CCOCC3)COC1.
What is the InChIKey of [3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is ICSDTIJKUTXUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-11-17(12-22-13-17)10-19-16-15-4-2-1-3-14(15)9-18(16)5-7-21-8-6-18/h1-4,16,19-20H,5-13H2.
What are the key properties of [3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol?
[3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 303.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 154743265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).