1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

C17H27NO2 — CID 59838695

IUPAC1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILES[2H]C([2H])([2H])N(CC([2H])(c1ccc(OC)cc1)C1(O)CCCCC1)C([2H])([2H])[2H]
InChIInChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i1D3,2D3,16D
InChIKeyPNVNVHUZROJLTJ-JXVLEPIESA-N
MW284.45 g/mol
LogP3.04
Rot. Bonds7

About 1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol (PubChem CID 59838695) has the molecular formula C17H27NO2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
PubChem CID59838695
Molecular FormulaC17H27NO2
Molecular Weight284.45 g/mol
Exact Mass284.25
IUPAC Name1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILES[2H]C([2H])([2H])N(CC([2H])(c1ccc(OC)cc1)C1(O)CCCCC1)C([2H])([2H])[2H]
InChIInChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i1D3,2D3,16D
InChIKeyPNVNVHUZROJLTJ-JXVLEPIESA-N
XLogP3.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 59838744
1-[1-(4-methoxyphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
CID 59838669
1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 25225923
1-[2-amino-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol;1-[2-[bis(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 157063165
bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
1-[(1R)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol;hydrochloride
CID 25225920
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
1-[2-[bis(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol;[2-(1-hydroxycyclohexyl)-2-[4-(trideuteriomethoxy)phenyl]ethyl]-tris(trideuteriomethyl)azanium;iodide
CID 162117946
[(2S)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-bis(trideuteriomethyl)azanium
CID 59807272
1-[(1R)-2-(dimethylamino)-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 25225533
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;methane
CID 158593799
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol (CID 59838695) is 1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol is [2H]C([2H])([2H])N(CC([2H])(c1ccc(OC)cc1)C1(O)CCCCC1)C([2H])([2H])[2H].
What is the InChIKey of 1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The InChIKey is PNVNVHUZROJLTJ-JXVLEPIESA-N. The full InChI is InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/i1D3,2D3,16D.
What are the key properties of 1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol has a molecular weight of 284.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 59838695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).