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

C20H25NO2 — CID 54582377

IUPAC2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C20H25NO2/c1-21(2)15-13-19-14-16-22-20(23-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3/t19-/m1/s1
InChIKeyHUUYKROBFWYDKH-LJQANCHMSA-N
MW311.43 g/mol
LogP3.64
Rot. Bonds5

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

2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine (PubChem CID 54582377) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine
PubChem CID54582377
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C20H25NO2/c1-21(2)15-13-19-14-16-22-20(23-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3/t19-/m1/s1
InChIKeyHUUYKROBFWYDKH-LJQANCHMSA-N
XLogP3.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
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]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine (CID 54582377) is 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine is CN(C)CC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine?
The InChIKey is HUUYKROBFWYDKH-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO2/c1-21(2)15-13-19-14-16-22-20(23-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine?
2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine has a molecular weight of 311.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 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]-N,N-dimethylethanamine is sourced from PubChem (CID 54582377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).