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

C18H21NO2 — CID 54580356

IUPAC2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine
SMILESNCC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C18H21NO2/c19-13-11-17-12-14-20-18(21-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14,19H2/t17-/m1/s1
InChIKeyCQKOQFUYMKVUOD-QGZVFWFLSA-N
MW283.37 g/mol
LogP3.04
Rot. Bonds4

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

2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine (PubChem CID 54580356) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine
PubChem CID54580356
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine
SMILESNCC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C18H21NO2/c19-13-11-17-12-14-20-18(21-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14,19H2/t17-/m1/s1
InChIKeyCQKOQFUYMKVUOD-QGZVFWFLSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine?
The IUPAC name of 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine (CID 54580356) is 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine.
What is the SMILES notation for 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine?
The canonical SMILES for 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine is NCC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine?
The InChIKey is CQKOQFUYMKVUOD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO2/c19-13-11-17-12-14-20-18(21-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14,19H2/t17-/m1/s1.
What are the key properties of 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine?
2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine has a molecular weight of 283.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]ethanamine is sourced from PubChem (CID 54580356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).