3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol

C18H20F3NO — CID 12549087

IUPAC3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCN(C)CC(O)C(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3NO/c1-22(2)12-16(23)17(13-7-4-3-5-8-13)14-9-6-10-15(11-14)18(19,20)21/h3-11,16-17,23H,12H2,1-2H3
InChIKeyHNERCTRCXWDGHU-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.76
Rot. Bonds5

About 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol

3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 12549087) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID12549087
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCN(C)CC(O)C(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3NO/c1-22(2)12-16(23)17(13-7-4-3-5-8-13)14-9-6-10-15(11-14)18(19,20)21/h3-11,16-17,23H,12H2,1-2H3
InChIKeyHNERCTRCXWDGHU-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62709
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CID 3041256
1-(2-(Dimethylamino)-1-(3-(trifluoromethyl)phenyl)ethyl)cyclohexanol
CID 10403428
1-[1-(4-Trifluoromethylphenyl)-2-dimethylaminoethyl]cyclohexanol
CID 13520319
1-(3-Iodo-phenyl)-3-(4-phenyl-piperidin-1-yl)-propan-2-ol
CID 15230466
Alpha-((diethylamino)methyl)phenethyl alcohol
CID 411826
2-(4-Fluoro-phenyl)-1-[1-(4-phenyl-butyl)-piperidin-4-yl]-ethanol
CID 10089567
3-(Dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide
CID 12549123
6-(Dimethylamino)-4,4-diphenylhexan-3-ol
CID 413621
1-Pyrrolidineethanol, alpha-(2,2-diphenylethyl)-
CID 120862

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 12549087) is 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol is CN(C)CC(O)C(c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is HNERCTRCXWDGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-22(2)12-16(23)17(13-7-4-3-5-8-13)14-9-6-10-15(11-14)18(19,20)21/h3-11,16-17,23H,12H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 323.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 12549087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).