N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide

C12H15F3N2O2 — CID 107493683

IUPACN-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCN(CC(F)(F)F)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-17(5-4-16)11(19)7-9-2-1-3-10(18)6-9/h1-3,6,18H,4-5,7-8,16H2
InChIKeyDKKLEXKPHBQXDY-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.28
Rot. Bonds5

About N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107493683) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107493683
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCN(CC(F)(F)F)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-17(5-4-16)11(19)7-9-2-1-3-10(18)6-9/h1-3,6,18H,4-5,7-8,16H2
InChIKeyDKKLEXKPHBQXDY-UHFFFAOYSA-N
XLogP1.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493544
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726469
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
N-(3-aminopropyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 61399131
N-cyclopentyl-2-(3-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)acetamide
CID 71968977
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54904791
N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55173941
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493496
ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate
CID 54984127
N-ethyl-2-(3-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 61399862
N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492483

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 107493683) is N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide is NCCN(CC(F)(F)F)C(=O)Cc1cccc(O)c1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DKKLEXKPHBQXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)8-17(5-4-16)11(19)7-9-2-1-3-10(18)6-9/h1-3,6,18H,4-5,7-8,16H2.
What are the key properties of N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107493683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).