Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.


Organic compounds

Organonitrogen compounds



Calculated Property

kind Value Source
logP 1.06 ALOGPS
logS -1.4 ALOGPS
Water Solubility 7.80e+00 g/l ALOGPS
logP 1.35 ChemAxon
IUPAC Name (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethan-1-ol ChemAxon
Traditional IUPAC Name (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol ChemAxon
Molecular Weight 205.177 ChemAxon
Monoisotopic Weight 205.071448562 ChemAxon
SMILES [H][C@](O)(CN)C1=CC=CC(=C1)C(F)(F)F ChemAxon
Molecular Formula C9H10F3NO ChemAxon
InChI InChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8,14H,5,13H2/t8-/m0/s1 ChemAxon
Polar Surface Area (PSA) 46.25 ChemAxon
Refractivity 46.47 ChemAxon
Polarizability 17.63 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 14.05 ChemAxon
pKa (strongest basic) 9.11 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Phenylethanolamine N-methyltransferase : in Human