1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol

C112H175N7O14 — CID 159594429

IUPAC1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol
SMILES[2H]c1c([2H])c(C(C([2H])([2H])N(C)C([2H])([2H])[2H])C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(C([2H])([2H])N(C)C)C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(CN(C([2H])([2H])[2H])C([2H])([2H])[2H])C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(CN(C)C([2H])([2H])[2H])C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(CN(C)C)C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C([2H])(C2(O)CCCCC2)C([2H])([2H])N(C)C([2H])([2H])[2H])c([2H])c([2H])c1O.[2H]c1cc(C([2H])(C2(O)CCCCC2)C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])[2H])cc([2H])c1O
InChIInChI=1S/7C16H25NO2/c7*1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h7*6-9,15,18-19H,3-5,10-12H2,1-2H3/i1D3,3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2,12D2;1D3,2D3,3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2;3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2,12D2;1D3,3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2;3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2;1D3,6D,7D,8D,9D,12D2,15D;1D3,2D3,8D,9D,12D2,15D
InChIKeyMKQQMDRZPXRXLA-BNGXJGMOSA-N
MW1951.32 g/mol
LogP19.13
Rot. Bonds35

About 1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol

1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol (PubChem CID 159594429) has the molecular formula C112H175N7O14 and a molecular weight of 1951.32 g/mol. Its IUPAC name is 1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol
PubChem CID159594429
Molecular FormulaC112H175N7O14
Molecular Weight1951.32 g/mol
Exact Mass1949.99
IUPAC Name1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol
SMILES[2H]c1c([2H])c(C(C([2H])([2H])N(C)C([2H])([2H])[2H])C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(C([2H])([2H])N(C)C)C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(CN(C([2H])([2H])[2H])C([2H])([2H])[2H])C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(CN(C)C([2H])([2H])[2H])C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(CN(C)C)C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C([2H])(C2(O)CCCCC2)C([2H])([2H])N(C)C([2H])([2H])[2H])c([2H])c([2H])c1O.[2H]c1cc(C([2H])(C2(O)CCCCC2)C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])[2H])cc([2H])c1O
InChIInChI=1S/7C16H25NO2/c7*1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h7*6-9,15,18-19H,3-5,10-12H2,1-2H3/i1D3,3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2,12D2;1D3,2D3,3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2;3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2,12D2;1D3,3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2;3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2;1D3,6D,7D,8D,9D,12D2,15D;1D3,2D3,8D,9D,12D2,15D
InChIKeyMKQQMDRZPXRXLA-BNGXJGMOSA-N
XLogP19.13
TPSA305.90 Ų
H-Bond Donors14
H-Bond Acceptors21
Rotatable Bonds35
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001951.32
LogP ≤ 519.13
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1021

Analyze 1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol?
The IUPAC name of 1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol (CID 159594429) is 1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol.
What is the SMILES notation for 1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol?
The canonical SMILES for 1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol is [2H]c1c([2H])c(C(C([2H])([2H])N(C)C([2H])([2H])[2H])C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(C([2H])([2H])N(C)C)C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(CN(C([2H])([2H])[2H])C([2H])([2H])[2H])C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(CN(C)C([2H])([2H])[2H])C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C(CN(C)C)C2(O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1O.[2H]c1c([2H])c(C([2H])(C2(O)CCCCC2)C([2H])([2H])N(C)C([2H])([2H])[2H])c([2H])c([2H])c1O.[2H]c1cc(C([2H])(C2(O)CCCCC2)C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])[2H])cc([2H])c1O.
What is the InChIKey of 1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol?
The InChIKey is MKQQMDRZPXRXLA-BNGXJGMOSA-N. The full InChI is InChI=1S/7C16H25NO2/c7*1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h7*6-9,15,18-19H,3-5,10-12H2,1-2H3/i1D3,3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2,12D2;1D3,2D3,3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2;3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2,12D2;1D3,3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2;3D2,4D2,5D2,6D,7D,8D,9D,10D2,11D2;1D3,6D,7D,8D,9D,12D2,15D;1D3,2D3,8D,9D,12D2,15D.
What are the key properties of 1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol?
1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol has a molecular weight of 1951.32 g/mol, XLogP of 19.13, 35 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;4-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(1-hydroxycyclohexyl)ethyl]-2,6-dideuteriophenol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]cyclohexan-1-ol;2,3,5,6-tetradeuterio-4-[1,2,2-trideuterio-1-(1-hydroxycyclohexyl)-2-[methyl(trideuteriomethyl)amino]ethyl]phenol is sourced from PubChem (CID 159594429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).