potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate

C19H19F3KNO3 — CID 167951188

IUPACpotassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate
SMILESCc1ccc(C(NC[C@H](O)c2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1C.[K+]
InChIInChI=1S/C19H20F3NO3.K/c1-11-3-4-14(9-12(11)2)17(18(25)26)23-10-16(24)13-5-7-15(8-6-13)19(20,21)22;/h3-9,16-17,23-24H,10H2,1-2H3,(H,25,26);/q;+1/p-1/t16-,17?;/m0./s1
InChIKeyKMWHNWWTZLBTMG-KHTASDDNSA-M
MW405.46 g/mol
LogP-0.56
Rot. Bonds6

About potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate

potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate (PubChem CID 167951188) has the molecular formula C19H19F3KNO3 and a molecular weight of 405.46 g/mol. Its IUPAC name is potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate.

Molecular Properties

Compound Namepotassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate
PubChem CID167951188
Molecular FormulaC19H19F3KNO3
Molecular Weight405.46 g/mol
Exact Mass405.10
IUPAC Namepotassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate
SMILESCc1ccc(C(NC[C@H](O)c2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1C.[K+]
InChIInChI=1S/C19H20F3NO3.K/c1-11-3-4-14(9-12(11)2)17(18(25)26)23-10-16(24)13-5-7-15(8-6-13)19(20,21)22;/h3-9,16-17,23-24H,10H2,1-2H3,(H,25,26);/q;+1/p-1/t16-,17?;/m0./s1
InChIKeyKMWHNWWTZLBTMG-KHTASDDNSA-M
XLogP-0.56
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate with MolForge

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Related Compounds

ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate
CID 61499161
(1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 54087155
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol
CID 61247016
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
CID 90534838
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 90534850
N-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82119184
N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534932
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826

Frequently Asked Questions

What is the IUPAC name of potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate?
The IUPAC name of potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate (CID 167951188) is potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate.
What is the SMILES notation for potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate?
The canonical SMILES for potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate is Cc1ccc(C(NC[C@H](O)c2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1C.[K+].
What is the InChIKey of potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate?
The InChIKey is KMWHNWWTZLBTMG-KHTASDDNSA-M. The full InChI is InChI=1S/C19H20F3NO3.K/c1-11-3-4-14(9-12(11)2)17(18(25)26)23-10-16(24)13-5-7-15(8-6-13)19(20,21)22;/h3-9,16-17,23-24H,10H2,1-2H3,(H,25,26);/q;+1/p-1/t16-,17?;/m0./s1.
What are the key properties of potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate?
potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate has a molecular weight of 405.46 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetate is sourced from PubChem (CID 167951188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).