2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol

C16H25NO2 — CID 25226091

IUPAC2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
SMILES[2H]c1c([2H])c(C([2H])(CN(C)C)C2(O)CCCCC2)c([2H])c([2H])c1O
InChIInChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/i6D,7D,8D,9D,15D
InChIKeyKYYIDSXMWOZKMP-QJZBYVTCSA-N
MW268.41 g/mol
LogP2.73
Rot. Bonds4

About 2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol

2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol (PubChem CID 25226091) has the molecular formula C16H25NO2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
PubChem CID25226091
Molecular FormulaC16H25NO2
Molecular Weight268.41 g/mol
Exact Mass268.22
IUPAC Name2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
SMILES[2H]c1c([2H])c(C([2H])(CN(C)C)C2(O)CCCCC2)c([2H])c([2H])c1O
InChIInChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/i6D,7D,8D,9D,15D
InChIKeyKYYIDSXMWOZKMP-QJZBYVTCSA-N
XLogP2.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dideuterio-4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
CID 25226830
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
1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[2-[bis(trideuteriomethyl)amino]-2,2-dideuterio-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[1-deuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[1-deuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[1,2,2-trideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 157201287
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CID 68605984
1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 59838695
1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[2-[bis(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-ol;1-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[1,2,2-trideuterio-2-(dimethylamino)-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[1,2,2-trideuterio-2-[methyl(trideuteriomethyl)amino]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 157456275
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;2-hydroxypropanoic acid
CID 25268064
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;ethanesulfonic acid
CID 44517185
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;methane
CID 158593799
but-2-enedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CID 68608550
2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[1-deuterio-1-(4-hydroxyphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
CID 25226093
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 159437674

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol?
The IUPAC name of 2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol (CID 25226091) is 2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol.
What is the SMILES notation for 2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol?
The canonical SMILES for 2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol is [2H]c1c([2H])c(C([2H])(CN(C)C)C2(O)CCCCC2)c([2H])c([2H])c1O.
What is the InChIKey of 2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol?
The InChIKey is KYYIDSXMWOZKMP-QJZBYVTCSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/i6D,7D,8D,9D,15D.
What are the key properties of 2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol?
2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol has a molecular weight of 268.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-4-[1-deuterio-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol is sourced from PubChem (CID 25226091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).