4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol

C17H24F3NO2 — CID 69305895

IUPAC4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
SMILESCN(C)CCC1(c2ccc(OC(F)(F)F)cc2)CCC(O)CC1
InChIInChI=1S/C17H24F3NO2/c1-21(2)12-11-16(9-7-14(22)8-10-16)13-3-5-15(6-4-13)23-17(18,19)20/h3-6,14,22H,7-12H2,1-2H3
InChIKeyDGMSOURDWIKYSH-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.71
Rot. Bonds5

About 4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol

4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol (PubChem CID 69305895) has the molecular formula C17H24F3NO2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
PubChem CID69305895
Molecular FormulaC17H24F3NO2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
SMILESCN(C)CCC1(c2ccc(OC(F)(F)F)cc2)CCC(O)CC1
InChIInChI=1S/C17H24F3NO2/c1-21(2)12-11-16(9-7-14(22)8-10-16)13-3-5-15(6-4-13)23-17(18,19)20/h3-6,14,22H,7-12H2,1-2H3
InChIKeyDGMSOURDWIKYSH-UHFFFAOYSA-N
XLogP3.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
1-[1-[4-(1-butylcyclohexyl)butyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 67878432
trans-(1R,2S)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 58954834
trans-(1S,2R)-2-(methylaminomethyl)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 58954817
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613
9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963371
cis-(1S,2R)-2-hydroxy-1-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 68673345
2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 155757621
N-[(2S)-3-(4-bromophenyl)-1-[2-(dimethylamino)ethyl-methylamino]-1-oxopropan-2-yl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 46893096
2-[3-(dimethylamino)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111023894
2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 61056755
4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 142618374

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol (CID 69305895) is 4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol is CN(C)CCC1(c2ccc(OC(F)(F)F)cc2)CCC(O)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The InChIKey is DGMSOURDWIKYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO2/c1-21(2)12-11-16(9-7-14(22)8-10-16)13-3-5-15(6-4-13)23-17(18,19)20/h3-6,14,22H,7-12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol has a molecular weight of 331.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 69305895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).