acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol

C14H20F3NO3 — CID 23622748

IUPACacetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol
SMILESCC(=O)O.CC(Cc1cccc(C(F)(F)F)c1)NCCO
InChIInChI=1S/C12H16F3NO.C2H4O2/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15;1-2(3)4/h2-4,8-9,16-17H,5-7H2,1H3;1H3,(H,3,4)
InChIKeyFAZYOGDAUZZDMZ-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.31
Rot. Bonds5

About acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol

acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol (PubChem CID 23622748) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol.

Molecular Properties

Compound Nameacetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol
PubChem CID23622748
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Nameacetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol
SMILESCC(=O)O.CC(Cc1cccc(C(F)(F)F)c1)NCCO
InChIInChI=1S/C12H16F3NO.C2H4O2/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15;1-2(3)4/h2-4,8-9,16-17H,5-7H2,1H3;1H3,(H,3,4)
InChIKeyFAZYOGDAUZZDMZ-UHFFFAOYSA-N
XLogP2.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylbut-2-enoic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol
CID 20838478
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol;3,4,5-trimethoxybenzoic acid
CID 23622768
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl (E)-2-methylbut-2-enoate
CID 6435294
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
3-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanenitrile;hydrochloride
CID 3046408
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
N-(2-benzhydrylsulfanylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 10002741
benzene-1,2,4-tricarboxylic acid;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride
CID 69335046
N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 154512800
ethane;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydroxysulfanylethane
CID 143236210
(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 757431

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol?
The IUPAC name of acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol (CID 23622748) is acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol.
What is the SMILES notation for acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol?
The canonical SMILES for acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol is CC(=O)O.CC(Cc1cccc(C(F)(F)F)c1)NCCO.
What is the InChIKey of acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol?
The InChIKey is FAZYOGDAUZZDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO.C2H4O2/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15;1-2(3)4/h2-4,8-9,16-17H,5-7H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol?
acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol has a molecular weight of 307.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol is sourced from PubChem (CID 23622748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).