trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol

C15H20F3NO2 — CID 58954817

IUPACtrans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
SMILESCNC[C@]1(c2ccc(OC(F)(F)F)cc2)CCCC[C@@H]1O
InChIInChI=1S/C15H20F3NO2/c1-19-10-14(9-3-2-4-13(14)20)11-5-7-12(8-6-11)21-15(16,17)18/h5-8,13,19-20H,2-4,9-10H2,1H3/t13-,14-/m0/s1
InChIKeyYDFJSUAVFRHHMT-KBPBESRZSA-N
MW303.32 g/mol
LogP2.98
Rot. Bonds4

About trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol

trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol (PubChem CID 58954817) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
PubChem CID58954817
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Nametrans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
SMILESCNC[C@]1(c2ccc(OC(F)(F)F)cc2)CCCC[C@@H]1O
InChIInChI=1S/C15H20F3NO2/c1-19-10-14(9-3-2-4-13(14)20)11-5-7-12(8-6-11)21-15(16,17)18/h5-8,13,19-20H,2-4,9-10H2,1H3/t13-,14-/m0/s1
InChIKeyYDFJSUAVFRHHMT-KBPBESRZSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 58954834
cis-(1S,2R)-2-hydroxy-1-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 68673345
trans-(1R,2S)-2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 58954807
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine
CID 66025755
2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 68673933
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 69305895
2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 155757621
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine;1-[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine
CID 158997057
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963371

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol (CID 58954817) is trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol is CNC[C@]1(c2ccc(OC(F)(F)F)cc2)CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The InChIKey is YDFJSUAVFRHHMT-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-19-10-14(9-3-2-4-13(14)20)11-5-7-12(8-6-11)21-15(16,17)18/h5-8,13,19-20H,2-4,9-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol has a molecular weight of 303.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 58954817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).