N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide

C13H17F3N2O — CID 107493544

IUPACN-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESNCCN(CC(F)(F)F)C(=O)CCc1ccccc1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-18(9-8-17)12(19)7-6-11-4-2-1-3-5-11/h1-5H,6-10,17H2
InChIKeyCTVFTBRDEQUCLZ-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.97
Rot. Bonds6

About N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide

N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107493544) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107493544
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESNCCN(CC(F)(F)F)C(=O)CCc1ccccc1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-18(9-8-17)12(19)7-6-11-4-2-1-3-5-11/h1-5H,6-10,17H2
InChIKeyCTVFTBRDEQUCLZ-UHFFFAOYSA-N
XLogP1.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886805
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107493683
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 120884359
N-(2-aminoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493677
N-(2-aminoethyl)-2,2-difluoro-2-phenyl-N-(2-phenylethyl)acetamide
CID 120885258
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120611397
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-phenylpropanamide
CID 79668144

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide (CID 107493544) is N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide is NCCN(CC(F)(F)F)C(=O)CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CTVFTBRDEQUCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)10-18(9-8-17)12(19)7-6-11-4-2-1-3-5-11/h1-5H,6-10,17H2.
What are the key properties of N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 274.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107493544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).