[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol

C15H20F3NO2 — CID 114779633

IUPAC[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2ccc(C(F)(F)F)cc2)CC(CO)O1
InChIInChI=1S/C15H20F3NO2/c1-14(2)10-19(8-13(9-20)21-14)7-11-3-5-12(6-4-11)15(16,17)18/h3-6,13,20H,7-10H2,1-2H3
InChIKeyQENZYKUENOQQFO-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.68
Rot. Bonds3

About [6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol

[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol (PubChem CID 114779633) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is [6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
PubChem CID114779633
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2ccc(C(F)(F)F)cc2)CC(CO)O1
InChIInChI=1S/C15H20F3NO2/c1-14(2)10-19(8-13(9-20)21-14)7-11-3-5-12(6-4-11)15(16,17)18/h3-6,13,20H,7-10H2,1-2H3
InChIKeyQENZYKUENOQQFO-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
[4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779852
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777343
[4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779993
[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776468
[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779730
[4-[(4-fluoro-2-methylphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779732
[4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779935
[6,6-dimethyl-4-[(3-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 114779835
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776455
[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776448
(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 154725513

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol (CID 114779633) is [6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol is CC1(C)CN(Cc2ccc(C(F)(F)F)cc2)CC(CO)O1.
What is the InChIKey of [6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol?
The InChIKey is QENZYKUENOQQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-14(2)10-19(8-13(9-20)21-14)7-11-3-5-12(6-4-11)15(16,17)18/h3-6,13,20H,7-10H2,1-2H3.
What are the key properties of [6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol?
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol has a molecular weight of 303.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 114779633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).