5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine

C14H19NO2 — CID 79368374

IUPAC5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine
SMILESCOc1ccc2c(c1)C1(CC2)CC(N)CCO1
InChIInChI=1S/C14H19NO2/c1-16-12-3-2-10-4-6-14(13(10)8-12)9-11(15)5-7-17-14/h2-3,8,11H,4-7,9,15H2,1H3
InChIKeyLVPGWDFAJJFKAN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.97
Rot. Bonds1

About 5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine

5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine (PubChem CID 79368374) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine.

Molecular Properties

Compound Name5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine
PubChem CID79368374
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine
SMILESCOc1ccc2c(c1)C1(CC2)CC(N)CCO1
InChIInChI=1S/C14H19NO2/c1-16-12-3-2-10-4-6-14(13(10)8-12)9-11(15)5-7-17-14/h2-3,8,11H,4-7,9,15H2,1H3
InChIKeyLVPGWDFAJJFKAN-UHFFFAOYSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine?
The IUPAC name of 5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine (CID 79368374) is 5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine.
What is the SMILES notation for 5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine?
The canonical SMILES for 5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine is COc1ccc2c(c1)C1(CC2)CC(N)CCO1.
What is the InChIKey of 5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine?
The InChIKey is LVPGWDFAJJFKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-12-3-2-10-4-6-14(13(10)8-12)9-11(15)5-7-17-14/h2-3,8,11H,4-7,9,15H2,1H3.
What are the key properties of 5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine?
5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine has a molecular weight of 233.31 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine is sourced from PubChem (CID 79368374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).