3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol

C13H24F3NO2 — CID 165496380

IUPAC3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCOC(C)(C)CN(C)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-12(2,19-4)8-17(3)11-7-9(18)5-6-10(11)13(14,15)16/h9-11,18H,5-8H2,1-4H3
InChIKeyAISBNDCZGBRPEI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.44
Rot. Bonds4

About 3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165496380) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165496380
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCOC(C)(C)CN(C)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-12(2,19-4)8-17(3)11-7-9(18)5-6-10(11)13(14,15)16/h9-11,18H,5-8H2,1-4H3
InChIKeyAISBNDCZGBRPEI-UHFFFAOYSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methoxyethyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496233
4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol
CID 165491996
3-[methyl-[(1-methylazetidin-3-yl)methyl]amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496382
3-[ethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491462
4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 165498695
4-tert-butyl-3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 165498706
3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496311
4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol
CID 165498697
4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 165498179
4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
CID 165491972
4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
CID 165498702
4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol
CID 166719534

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165496380) is 3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol is COC(C)(C)CN(C)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is AISBNDCZGBRPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-12(2,19-4)8-17(3)11-7-9(18)5-6-10(11)13(14,15)16/h9-11,18H,5-8H2,1-4H3.
What are the key properties of 3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165496380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).