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

C14H19NO2 — CID 63936017

IUPAC4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(OC3CCOCC3)cccc21
InChIInChI=1S/C14H19NO2/c15-13-5-4-12-11(13)2-1-3-14(12)17-10-6-8-16-9-7-10/h1-3,10,13H,4-9,15H2
InChIKeyZSKAQSISEIXIEK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.19
Rot. Bonds2

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

4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 63936017) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID63936017
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(OC3CCOCC3)cccc21
InChIInChI=1S/C14H19NO2/c15-13-5-4-12-11(13)2-1-3-14(12)17-10-6-8-16-9-7-10/h1-3,10,13H,4-9,15H2
InChIKeyZSKAQSISEIXIEK-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine (CID 63936017) is 4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine is NC1CCc2c(OC3CCOCC3)cccc21.
What is the InChIKey of 4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZSKAQSISEIXIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-13-5-4-12-11(13)2-1-3-14(12)17-10-6-8-16-9-7-10/h1-3,10,13H,4-9,15H2.
What are the key properties of 4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine?
4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63936017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).