1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine

C19H23NO2 — CID 57326326

IUPAC1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
InChIKeyOANBYDFPBWKVGI-SFHVURJKSA-N
MW297.40 g/mol
LogP2.91
Rot. Bonds4

About 1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine

1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine (PubChem CID 57326326) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine
PubChem CID57326326
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1
InChIKeyOANBYDFPBWKVGI-SFHVURJKSA-N
XLogP2.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine (CID 57326326) is 1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine is CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine?
The InChIKey is OANBYDFPBWKVGI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20(2)13-18-14-21-15-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine?
1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine has a molecular weight of 297.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-6,6-diphenyl-1,4-dioxan-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 57326326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).