cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol

C15H23NO2 — CID 25182362

IUPACcis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol
SMILES[2H]Oc1cccc([C@]2(O)CCCC[C@H]2CN(C)C([2H])([2H])[2H])c1
InChIInChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1/i1D3/hD
InChIKeyUWJUQVWARXYRCG-WUMMDLIISA-N
MW253.38 g/mol
LogP2.33
Rot. Bonds5

About cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol

cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 25182362) has the molecular formula C15H23NO2 and a molecular weight of 253.38 g/mol. Its IUPAC name is cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol
PubChem CID25182362
Molecular FormulaC15H23NO2
Molecular Weight253.38 g/mol
Exact Mass253.20
IUPAC Namecis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol
SMILES[2H]Oc1cccc([C@]2(O)CCCC[C@H]2CN(C)C([2H])([2H])[2H])c1
InChIInChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1/i1D3/hD
InChIKeyUWJUQVWARXYRCG-WUMMDLIISA-N
XLogP2.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

bis(cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol);hydrochloride
CID 160528339
trans-(1S,6S)-2,2,6-trideuterio-1-(3-deuteriooxyphenyl)-6-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol
CID 25183260
1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 25182964
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;cis-(1R,2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-[3-(trideuteriomethoxy)phenyl]cyclohexan-1-ol;cis-(1R,2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-[3-(trideuteriomethoxy)phenyl]cyclohexan-1-ol;cis-(1S,2S)-2-[(dimethylamino)methyl]-1-[3-(trideuteriomethoxy)phenyl]cyclohexan-1-ol;cis-(1R,2R)-2-[(dimethylamino)methyl]-1-[3-(trideuteriomethoxy)phenyl]cyclohexan-1-ol;trans-(1R,2R)-2-[dideuterio(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 158683076
2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol
CID 138487256
3-[(1S,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol
CID 40616047
3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide
CID 11572860
[(1R,2R)-2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium chloride
CID 122174016
3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide
CID 24866825
N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide
CID 24867158
cis-(1R,2R)-1-[3-chloro-4-(dimethylamino)phenyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 134354580

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol (CID 25182362) is cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol is [2H]Oc1cccc([C@]2(O)CCCC[C@H]2CN(C)C([2H])([2H])[2H])c1.
What is the InChIKey of cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is UWJUQVWARXYRCG-WUMMDLIISA-N. The full InChI is InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1/i1D3/hD.
What are the key properties of cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol?
cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 253.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 25182362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).