3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine

C14H19NO2 — CID 43608901

IUPAC3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine
SMILESNC1CCOCC1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c15-13-6-7-16-9-14(13)17-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14H,1-3,6-7,9,15H2
InChIKeyWQVJLJBBKDSNBJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.67
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine

3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine (PubChem CID 43608901) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine
PubChem CID43608901
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine
SMILESNC1CCOCC1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c15-13-6-7-16-9-14(13)17-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14H,1-3,6-7,9,15H2
InChIKeyWQVJLJBBKDSNBJ-UHFFFAOYSA-N
XLogP1.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine (CID 43608901) is 3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine is NC1CCOCC1Oc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine?
The InChIKey is WQVJLJBBKDSNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-13-6-7-16-9-14(13)17-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14H,1-3,6-7,9,15H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine?
3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine has a molecular weight of 233.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yloxy)oxan-4-amine is sourced from PubChem (CID 43608901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).