1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol

C17H27NO2 — CID 25225923

IUPAC1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
SMILES[2H]C([2H])N(C[C@H](c1ccc(OC([2H])([2H])[2H])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/t16-/m1/s1/i1D2,2D3,3D3
InChIKeyPNVNVHUZROJLTJ-ZDSBQZFISA-N
MW285.46 g/mol
LogP3.04
Rot. Bonds8

About 1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol

1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol (PubChem CID 25225923) has the molecular formula C17H27NO2 and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
PubChem CID25225923
Molecular FormulaC17H27NO2
Molecular Weight285.46 g/mol
Exact Mass285.25
IUPAC Name1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
SMILES[2H]C([2H])N(C[C@H](c1ccc(OC([2H])([2H])[2H])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/t16-/m1/s1/i1D2,2D3,3D3
InChIKeyPNVNVHUZROJLTJ-ZDSBQZFISA-N
XLogP3.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[(1R)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol;hydrochloride
CID 25225920
1-[(1R)-2-(dimethylamino)-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 25225533
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
1-[1-(4-methoxyphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
CID 59838669
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
bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
1-[2,2-dideuterio-2-isocyano-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 59807280
1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
CID 118118928
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;methane
CID 158593799
dideuteriomethyl-[(2R)-2-(1-hydroxycyclohexyl)-2-[4-(trideuteriomethoxy)phenyl]ethyl]-(trideuteriomethyl)azanium
CID 59807252
1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 59838695
1-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 59838744

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol (CID 25225923) is 1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol is [2H]C([2H])N(C[C@H](c1ccc(OC([2H])([2H])[2H])cc1)C1(O)CCCCC1)C([2H])([2H])[2H].
What is the InChIKey of 1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol?
The InChIKey is PNVNVHUZROJLTJ-ZDSBQZFISA-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/t16-/m1/s1/i1D2,2D3,3D3.
What are the key properties of 1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol?
1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol has a molecular weight of 285.46 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-[dideuteriomethyl(trideuteriomethyl)amino]-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 25225923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).