2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol

C11H17NO3 — CID 59348055

IUPAC2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol
SMILES[2H]C([2H])([2H])NC([2H])([2H])C(O)c1cccc(OCOC)c1
InChIInChI=1S/C11H17NO3/c1-12-7-11(13)9-4-3-5-10(6-9)15-8-14-2/h3-6,11-13H,7-8H2,1-2H3/i1D3,7D2
InChIKeyQDPNUIOADQASBT-WRMAMSRYSA-N
MW216.29 g/mol
LogP0.92
Rot. Bonds7

About 2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol

2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol (PubChem CID 59348055) has the molecular formula C11H17NO3 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol.

Molecular Properties

Compound Name2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol
PubChem CID59348055
Molecular FormulaC11H17NO3
Molecular Weight216.29 g/mol
Exact Mass216.15
IUPAC Name2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol
SMILES[2H]C([2H])([2H])NC([2H])([2H])C(O)c1cccc(OCOC)c1
InChIInChI=1S/C11H17NO3/c1-12-7-11(13)9-4-3-5-10(6-9)15-8-14-2/h3-6,11-13H,7-8H2,1-2H3/i1D3,7D2
InChIKeyQDPNUIOADQASBT-WRMAMSRYSA-N
XLogP0.92
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol
CID 76530110
3-amino-3-[3-(methoxymethoxy)phenyl]propanoic acid
CID 53417363
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol
CID 76973806
3-hydroxy-3-[3-(2-methoxyethoxy)phenyl]propanenitrile
CID 67316257
2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339661
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol?
The IUPAC name of 2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol (CID 59348055) is 2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol.
What is the SMILES notation for 2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol?
The canonical SMILES for 2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol is [2H]C([2H])([2H])NC([2H])([2H])C(O)c1cccc(OCOC)c1.
What is the InChIKey of 2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol?
The InChIKey is QDPNUIOADQASBT-WRMAMSRYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12-7-11(13)9-4-3-5-10(6-9)15-8-14-2/h3-6,11-13H,7-8H2,1-2H3/i1D3,7D2.
What are the key properties of 2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol?
2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol has a molecular weight of 216.29 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-1-[3-(methoxymethoxy)phenyl]-2-(trideuteriomethylamino)ethanol is sourced from PubChem (CID 59348055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).