2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine

C13H19NO2 — CID 11680163

IUPAC2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine
SMILESCC[C@]1(c2ccccc2)OC[C@H](CCN)O1
InChIInChI=1S/C13H19NO2/c1-2-13(11-6-4-3-5-7-11)15-10-12(16-13)8-9-14/h3-7,12H,2,8-10,14H2,1H3/t12-,13-/m0/s1
InChIKeyOTBOADKGPXWFHX-STQMWFEESA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds4

About 2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine

2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine (PubChem CID 11680163) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine
PubChem CID11680163
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine
SMILESCC[C@]1(c2ccccc2)OC[C@H](CCN)O1
InChIInChI=1S/C13H19NO2/c1-2-13(11-6-4-3-5-7-11)15-10-12(16-13)8-9-14/h3-7,12H,2,8-10,14H2,1H3/t12-,13-/m0/s1
InChIKeyOTBOADKGPXWFHX-STQMWFEESA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine (CID 11680163) is 2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine is CC[C@]1(c2ccccc2)OC[C@H](CCN)O1.
What is the InChIKey of 2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is OTBOADKGPXWFHX-STQMWFEESA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-13(11-6-4-3-5-7-11)15-10-12(16-13)8-9-14/h3-7,12H,2,8-10,14H2,1H3/t12-,13-/m0/s1.
What are the key properties of 2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine?
2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 11680163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).