(1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol

C18H24F3NO — CID 146925852

IUPAC(1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCN(C1CCC1)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1O
InChIInChI=1S/C18H24F3NO/c1-22(15-6-3-7-15)16-11-13(8-9-17(16)23)12-4-2-5-14(10-12)18(19,20)21/h2,4-5,10,13,15-17,23H,3,6-9,11H2,1H3/t13-,16-,17-/m0/s1
InChIKeyAEBGRANABYVGIT-JQFCIGGWSA-N
MW327.39 g/mol
LogP4.19
Rot. Bonds3

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

(1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 146925852) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is (1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID146925852
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name(1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCN(C1CCC1)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1O
InChIInChI=1S/C18H24F3NO/c1-22(15-6-3-7-15)16-11-13(8-9-17(16)23)12-4-2-5-14(10-12)18(19,20)21/h2,4-5,10,13,15-17,23H,3,6-9,11H2,1H3/t13-,16-,17-/m0/s1
InChIKeyAEBGRANABYVGIT-JQFCIGGWSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol with MolForge

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Related Compounds

(-)-Vesamicol
CID 659840
Vesamicol
CID 5662
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
CID 833992
[3H]vesamicol
CID 54580503
Tocris-0653
CID 833995
4-tert-Butyl-2-(4-phenyl-piperidin-1-yl)-cyclohexanol
CID 15925801
trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol
CID 71769268
trans-(1R,6R)-6-(4-phenylpiperidin-1-yl)-2,3-ditritiocyclohexan-1-ol
CID 73350360
(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

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of (1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 146925852) is (1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for (1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is CN(C1CCC1)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1O.
What is the InChIKey of (1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is AEBGRANABYVGIT-JQFCIGGWSA-N. The full InChI is InChI=1S/C18H24F3NO/c1-22(15-6-3-7-15)16-11-13(8-9-17(16)23)12-4-2-5-14(10-12)18(19,20)21/h2,4-5,10,13,15-17,23H,3,6-9,11H2,1H3/t13-,16-,17-/m0/s1.
What are the key properties of (1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
(1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 327.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-[cyclobutyl(methyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 146925852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).