2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol

C12H16F3NO — CID 170865710

IUPAC2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol
SMILESCN(C)CCCc1cccc(C(F)(F)F)c1O
InChIInChI=1S/C12H16F3NO/c1-16(2)8-4-6-9-5-3-7-10(11(9)17)12(13,14)15/h3,5,7,17H,4,6,8H2,1-2H3
InChIKeyDHRGBJCWZFJINX-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.91
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol

2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol (PubChem CID 170865710) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol
PubChem CID170865710
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol
SMILESCN(C)CCCc1cccc(C(F)(F)F)c1O
InChIInChI=1S/C12H16F3NO/c1-16(2)8-4-6-9-5-3-7-10(11(9)17)12(13,14)15/h3,5,7,17H,4,6,8H2,1-2H3
InChIKeyDHRGBJCWZFJINX-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865770
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
2-(aminooxymethyl)-6-(trifluoromethyl)phenol
CID 117295390
N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine
CID 170865869
2-(2-aminoethyl)-6-(1,1-difluoroethyl)phenol
CID 84670019
2-tert-butyl-6-pentadecylphenol
CID 151192860
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 163905024
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
2-[3-(dimethylamino)propyl]-5-fluorophenol
CID 170865708
3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
CID 163375747
2-[3-(dimethylamino)propyl]-4,6-difluorophenol
CID 170865567

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol?
The IUPAC name of 2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol (CID 170865710) is 2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol is CN(C)CCCc1cccc(C(F)(F)F)c1O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol?
The InChIKey is DHRGBJCWZFJINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-16(2)8-4-6-9-5-3-7-10(11(9)17)12(13,14)15/h3,5,7,17H,4,6,8H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol?
2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol has a molecular weight of 247.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol is sourced from PubChem (CID 170865710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).