2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine

C15H23NO2 — CID 53304348

IUPAC2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine
SMILESCC[C@@]1(c2ccccc2)OCC[C@@H](CCNC)O1
InChIInChI=1S/C15H23NO2/c1-3-15(13-7-5-4-6-8-13)17-12-10-14(18-15)9-11-16-2/h4-8,14,16H,3,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyHMAADEFXIZTOAG-HUUCEWRRSA-N
MW249.35 g/mol
LogP2.66
Rot. Bonds5

About 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine

2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine (PubChem CID 53304348) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine
PubChem CID53304348
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine
SMILESCC[C@@]1(c2ccccc2)OCC[C@@H](CCNC)O1
InChIInChI=1S/C15H23NO2/c1-3-15(13-7-5-4-6-8-13)17-12-10-14(18-15)9-11-16-2/h4-8,14,16H,3,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyHMAADEFXIZTOAG-HUUCEWRRSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine?
The IUPAC name of 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine (CID 53304348) is 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine is CC[C@@]1(c2ccccc2)OCC[C@@H](CCNC)O1.
What is the InChIKey of 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine?
The InChIKey is HMAADEFXIZTOAG-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15(13-7-5-4-6-8-13)17-12-10-14(18-15)9-11-16-2/h4-8,14,16H,3,9-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine?
2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N-methylethanamine is sourced from PubChem (CID 53304348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).