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

C15H22F3NO — CID 79053452

IUPAC2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCN(CC)C(C)(C)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-5-19(6-2)14(3,4)13(20)11-8-7-9-12(10-11)15(16,17)18/h7-10,13,20H,5-6H2,1-4H3
InChIKeyFPHZQTVGJXUJSS-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.86
Rot. Bonds5

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

2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 79053452) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID79053452
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCN(CC)C(C)(C)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-5-19(6-2)14(3,4)13(20)11-8-7-9-12(10-11)15(16,17)18/h7-10,13,20H,5-6H2,1-4H3
InChIKeyFPHZQTVGJXUJSS-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-2-methyl-1-(3-methylphenyl)propan-1-ol
CID 79052853
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511327
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
3-(diethylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 64527201
ethyl 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoate
CID 60723433
2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol
CID 79053451
2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 115792392
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 63688513

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 79053452) is 2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol is CCN(CC)C(C)(C)C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is FPHZQTVGJXUJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-5-19(6-2)14(3,4)13(20)11-8-7-9-12(10-11)15(16,17)18/h7-10,13,20H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 289.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 79053452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).