ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate

C14H18F3NO3 — CID 61499161

IUPACethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate
SMILESCCOC(=O)C(C)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-3-21-13(20)9(2)18-8-12(19)10-4-6-11(7-5-10)14(15,16)17/h4-7,9,12,18-19H,3,8H2,1-2H3
InChIKeyYJAPYKMCZAPDOW-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.28
Rot. Bonds6

About ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate

ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate (PubChem CID 61499161) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate
PubChem CID61499161
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Nameethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate
SMILESCCOC(=O)C(C)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-3-21-13(20)9(2)18-8-12(19)10-4-6-11(7-5-10)14(15,16)17/h4-7,9,12,18-19H,3,8H2,1-2H3
InChIKeyYJAPYKMCZAPDOW-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 94425179
methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate
CID 61499553
ethyl 2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]propanoate
CID 61499317
ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate
CID 178178540
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
ethyl (3S)-3-amino-2-fluoro-3-[4-(trifluoromethyl)phenyl]propanoate
CID 171245908
2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol
CID 61247016
[4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
CID 67523957
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate
CID 167951188
(1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 54087155

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate (CID 61499161) is ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate is CCOC(=O)C(C)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate?
The InChIKey is YJAPYKMCZAPDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-3-21-13(20)9(2)18-8-12(19)10-4-6-11(7-5-10)14(15,16)17/h4-7,9,12,18-19H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate?
ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate has a molecular weight of 305.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate is sourced from PubChem (CID 61499161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).