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

C15H23NO2 — CID 53304662

IUPAC3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine
SMILESCC[C@@]1(c2ccccc2)OCC[C@@H](CCCN)O1
InChIInChI=1S/C15H23NO2/c1-2-15(13-7-4-3-5-8-13)17-12-10-14(18-15)9-6-11-16/h3-5,7-8,14H,2,6,9-12,16H2,1H3/t14-,15-/m1/s1
InChIKeyLKZMPSJBBSQFBB-HUUCEWRRSA-N
MW249.35 g/mol
LogP2.79
Rot. Bonds5

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

3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine (PubChem CID 53304662) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine
PubChem CID53304662
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine
SMILESCC[C@@]1(c2ccccc2)OCC[C@@H](CCCN)O1
InChIInChI=1S/C15H23NO2/c1-2-15(13-7-4-3-5-8-13)17-12-10-14(18-15)9-6-11-16/h3-5,7-8,14H,2,6,9-12,16H2,1H3/t14-,15-/m1/s1
InChIKeyLKZMPSJBBSQFBB-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 3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine?
The IUPAC name of 3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine (CID 53304662) is 3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine.
What is the SMILES notation for 3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine?
The canonical SMILES for 3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine is CC[C@@]1(c2ccccc2)OCC[C@@H](CCCN)O1.
What is the InChIKey of 3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine?
The InChIKey is LKZMPSJBBSQFBB-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-15(13-7-4-3-5-8-13)17-12-10-14(18-15)9-6-11-16/h3-5,7-8,14H,2,6,9-12,16H2,1H3/t14-,15-/m1/s1.
What are the key properties of 3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine?
3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine 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 3-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]propan-1-amine is sourced from PubChem (CID 53304662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).