2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol

C11H14F3NO — CID 84736381

IUPAC2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol
SMILESCNC(C)c1cccc(C(O)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-7(15-2)8-4-3-5-9(6-8)10(16)11(12,13)14/h3-7,10,15-16H,1-2H3
InChIKeyWPCMOMPVRNCJJV-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.56
Rot. Bonds3

About 2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol

2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol (PubChem CID 84736381) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol
PubChem CID84736381
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol
SMILESCNC(C)c1cccc(C(O)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-7(15-2)8-4-3-5-9(6-8)10(16)11(12,13)14/h3-7,10,15-16H,1-2H3
InChIKeyWPCMOMPVRNCJJV-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine
CID 84737499
1-(3-bromophenyl)-2,2,2-trifluoroethanol
CID 23423062
(1R)-1-(3-tert-butylphenyl)-N-methylethanamine
CID 131209247
N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine
CID 64661334
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
3-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]benzoic acid
CID 170914123
1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
CID 113324687
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271
N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
CID 130697779
1-[3-(4-bromophenyl)phenyl]-N-methylethanamine
CID 63888721
N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 79168540
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol (CID 84736381) is 2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol is CNC(C)c1cccc(C(O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol?
The InChIKey is WPCMOMPVRNCJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(15-2)8-4-3-5-9(6-8)10(16)11(12,13)14/h3-7,10,15-16H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol?
2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol has a molecular weight of 233.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol is sourced from PubChem (CID 84736381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).