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

C15H23NO2 — CID 71458839

IUPAC2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine
SMILESCCC[C@@]1(c2ccccc2)OCC[C@@H](CCN)O1
InChIInChI=1S/C15H23NO2/c1-2-10-15(13-6-4-3-5-7-13)17-12-9-14(18-15)8-11-16/h3-7,14H,2,8-12,16H2,1H3/t14-,15-/m1/s1
InChIKeyWEIHGVGRYXRBBS-HUUCEWRRSA-N
MW249.35 g/mol
LogP2.79
Rot. Bonds5

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

2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine (PubChem CID 71458839) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine
PubChem CID71458839
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine
SMILESCCC[C@@]1(c2ccccc2)OCC[C@@H](CCN)O1
InChIInChI=1S/C15H23NO2/c1-2-10-15(13-6-4-3-5-7-13)17-12-9-14(18-15)8-11-16/h3-7,14H,2,8-12,16H2,1H3/t14-,15-/m1/s1
InChIKeyWEIHGVGRYXRBBS-HUUCEWRRSA-N
XLogP2.79
TPSA44.48 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 ≤ 52.79
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-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine?
The IUPAC name of 2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine (CID 71458839) is 2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine.
What is the SMILES notation for 2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine?
The canonical SMILES for 2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine is CCC[C@@]1(c2ccccc2)OCC[C@@H](CCN)O1.
What is the InChIKey of 2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine?
The InChIKey is WEIHGVGRYXRBBS-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-10-15(13-6-4-3-5-7-13)17-12-9-14(18-15)8-11-16/h3-7,14H,2,8-12,16H2,1H3/t14-,15-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine?
2-[(2R,4R)-2-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.79, 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-phenyl-2-propyl-1,3-dioxan-4-yl]ethanamine is sourced from PubChem (CID 71458839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).