(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol

C15H20F3NO — CID 134429949

IUPAC(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1O
InChIInChI=1S/C15H20F3NO/c1-19(2)13-9-11(6-7-14(13)20)10-4-3-5-12(8-10)15(16,17)18/h3-5,8,11,13-14,20H,6-7,9H2,1-2H3/t11-,13-,14-/m0/s1
InChIKeyBSPNUYHIXLKZET-UBHSHLNASA-N
MW287.32 g/mol
LogP3.26
Rot. Bonds2

About (1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol

(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 134429949) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID134429949
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1O
InChIInChI=1S/C15H20F3NO/c1-19(2)13-9-11(6-7-14(13)20)10-4-3-5-12(8-10)15(16,17)18/h3-5,8,11,13-14,20H,6-7,9H2,1-2H3/t11-,13-,14-/m0/s1
InChIKeyBSPNUYHIXLKZET-UBHSHLNASA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Butyl-2-(4-phenyl-piperidin-1-yl)-cyclohexanol
CID 15925801
trans-(1S,2S)-2-[methyl(2-phenylethyl)amino]cyclohexan-1-ol
CID 71769139
trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol
CID 71769268
(1R,2R)-2-[Ethyl(3-phenylpropyl)amino]cyclohexan-1-ol
CID 122181302
1-(2-Hydroxy-cyclohexyl)-1-methyl-4-phenyl-piperidinium
CID 15925838
3-(Dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 12549088
2-[Methyl-(3-phenyl-propyl)-amino]-cyclohexanol
CID 15925832
3-(Dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol
CID 12549039
3-(Dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol
CID 12549105
Cyclohexanol, 4-(1,1-dimethylethyl)-2-(4-phenyl-1-piperidinyl)-, hydrochloride, (1-alpha,2-beta,4-alpha)-(+-)-
CID 3078236
4-Fluoromethylvesamicol
CID 197442
2-(Methyl-phenethyl-amino)-cyclohexanol
CID 15925880

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of (1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 134429949) is (1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for (1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1O.
What is the InChIKey of (1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is BSPNUYHIXLKZET-UBHSHLNASA-N. The full InChI is InChI=1S/C15H20F3NO/c1-19(2)13-9-11(6-7-14(13)20)10-4-3-5-12(8-10)15(16,17)18/h3-5,8,11,13-14,20H,6-7,9H2,1-2H3/t11-,13-,14-/m0/s1.
What are the key properties of (1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 287.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 134429949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).