4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol

C15H21NO2 — CID 81130670

IUPAC4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2Cc3ccccc3C2)CCOCC1
InChIInChI=1S/C15H21NO2/c17-15(5-7-18-8-6-15)11-16-14-9-12-3-1-2-4-13(12)10-14/h1-4,14,16-17H,5-11H2
InChIKeyLIFMQDFJCYWOAG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.28
Rot. Bonds3

About 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol

4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol (PubChem CID 81130670) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol
PubChem CID81130670
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2Cc3ccccc3C2)CCOCC1
InChIInChI=1S/C15H21NO2/c17-15(5-7-18-8-6-15)11-16-14-9-12-3-1-2-4-13(12)10-14/h1-4,14,16-17H,5-11H2
InChIKeyLIFMQDFJCYWOAG-UHFFFAOYSA-N
XLogP1.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol (CID 81130670) is 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol is OC1(CNC2Cc3ccccc3C2)CCOCC1.
What is the InChIKey of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol?
The InChIKey is LIFMQDFJCYWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(5-7-18-8-6-15)11-16-14-9-12-3-1-2-4-13(12)10-14/h1-4,14,16-17H,5-11H2.
What are the key properties of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol?
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol has a molecular weight of 247.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81130670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).