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

C14H21NO2 — CID 53304504

IUPAC2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine
SMILESCC[C@@]1(c2ccccc2)OCC[C@@H](CCN)O1
InChIInChI=1S/C14H21NO2/c1-2-14(12-6-4-3-5-7-12)16-11-9-13(17-14)8-10-15/h3-7,13H,2,8-11,15H2,1H3/t13-,14-/m1/s1
InChIKeyNNHCRVIMTXXWIF-ZIAGYGMSSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds4

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

2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine (PubChem CID 53304504) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine
PubChem CID53304504
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine
SMILESCC[C@@]1(c2ccccc2)OCC[C@@H](CCN)O1
InChIInChI=1S/C14H21NO2/c1-2-14(12-6-4-3-5-7-12)16-11-9-13(17-14)8-10-15/h3-7,13H,2,8-11,15H2,1H3/t13-,14-/m1/s1
InChIKeyNNHCRVIMTXXWIF-ZIAGYGMSSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
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]ethanamine?
The IUPAC name of 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine (CID 53304504) is 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine.
What is the SMILES notation for 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine?
The canonical SMILES for 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine is CC[C@@]1(c2ccccc2)OCC[C@@H](CCN)O1.
What is the InChIKey of 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine?
The InChIKey is NNHCRVIMTXXWIF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-14(12-6-4-3-5-7-12)16-11-9-13(17-14)8-10-15/h3-7,13H,2,8-11,15H2,1H3/t13-,14-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine?
2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.40, 4 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]ethanamine is sourced from PubChem (CID 53304504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).