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

C19H23NO2 — CID 54583364

IUPAC2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine
SMILESCNCC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H23NO2/c1-20-14-12-18-13-15-21-19(22-18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20H,12-15H2,1H3/t18-/m1/s1
InChIKeyUZWYTWLBCCZCKK-GOSISDBHSA-N
MW297.40 g/mol
LogP3.30
Rot. Bonds5

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

2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine (PubChem CID 54583364) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine
PubChem CID54583364
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine
SMILESCNCC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H23NO2/c1-20-14-12-18-13-15-21-19(22-18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20H,12-15H2,1H3/t18-/m1/s1
InChIKeyUZWYTWLBCCZCKK-GOSISDBHSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.30
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]-N-methylethanamine?
The IUPAC name of 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine (CID 54583364) is 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine is CNCC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine?
The InChIKey is UZWYTWLBCCZCKK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20-14-12-18-13-15-21-19(22-18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20H,12-15H2,1H3/t18-/m1/s1.
What are the key properties of 2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine?
2-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]-N-methylethanamine has a molecular weight of 297.40 g/mol, XLogP of 3.30, 5 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]-N-methylethanamine is sourced from PubChem (CID 54583364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).