2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol

C14H21NO4 — CID 3243430

IUPAC2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol
SMILESCC1OC(NCCc2ccccc2)C(O)C(O)C1O
InChIInChI=1S/C14H21NO4/c1-9-11(16)12(17)13(18)14(19-9)15-8-7-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3
InChIKeyWEASWRDFMRNHED-UHFFFAOYSA-N
MW267.32 g/mol
LogP-0.35
Rot. Bonds4

About 2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol

2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol (PubChem CID 3243430) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol
PubChem CID3243430
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol
SMILESCC1OC(NCCc2ccccc2)C(O)C(O)C1O
InChIInChI=1S/C14H21NO4/c1-9-11(16)12(17)13(18)14(19-9)15-8-7-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3
InChIKeyWEASWRDFMRNHED-UHFFFAOYSA-N
XLogP-0.35
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol?
The IUPAC name of 2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol (CID 3243430) is 2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol.
What is the SMILES notation for 2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol?
The canonical SMILES for 2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol is CC1OC(NCCc2ccccc2)C(O)C(O)C1O.
What is the InChIKey of 2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol?
The InChIKey is WEASWRDFMRNHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-11(16)12(17)13(18)14(19-9)15-8-7-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3.
What are the key properties of 2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol?
2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol has a molecular weight of 267.32 g/mol, XLogP of -0.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol is sourced from PubChem (CID 3243430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).