4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol

C16H22F3NO — CID 69328287

IUPAC4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(C(F)(F)F)cc2)CCC(O)CC1
InChIInChI=1S/C16H22F3NO/c1-20(2)11-15(9-7-14(21)8-10-15)12-3-5-13(6-4-12)16(17,18)19/h3-6,14,21H,7-11H2,1-2H3
InChIKeyDROOYZCCAAOOTF-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.44
Rot. Bonds3

About 4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol

4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 69328287) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID69328287
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(C(F)(F)F)cc2)CCC(O)CC1
InChIInChI=1S/C16H22F3NO/c1-20(2)11-15(9-7-14(21)8-10-15)12-3-5-13(6-4-12)16(17,18)19/h3-6,14,21H,7-11H2,1-2H3
InChIKeyDROOYZCCAAOOTF-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2R)-2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 58954868
2-[(dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 68673933
N,N-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methanamine;1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 159283738
4-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 69305895
4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol
CID 23091669
N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
CID 53318453
1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 68890451
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
1-[1-(4-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53324333
N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
1-[1-(3,4-dichlorophenyl)-4-fluorocyclohexyl]-N,N-dimethylmethanamine
CID 68673889
cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 157186066

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 69328287) is 4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol is CN(C)CC1(c2ccc(C(F)(F)F)cc2)CCC(O)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is DROOYZCCAAOOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-20(2)11-15(9-7-14(21)8-10-15)12-3-5-13(6-4-12)16(17,18)19/h3-6,14,21H,7-11H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 301.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 69328287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).