N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride

C13H18ClF3N2O — CID 120886805

IUPACN-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CC(F)(F)F
InChIInChI=1S/C13H17F3N2O.ClH/c14-13(15,16)10-12(19)18(9-7-17)8-6-11-4-2-1-3-5-11;/h1-5H,6-10,17H2;1H
InChIKeySLTDZAUXASLYBA-UHFFFAOYSA-N
MW310.75 g/mol
LogP2.39
Rot. Bonds6

About N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride

N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 120886805) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID120886805
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC NameN-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CC(F)(F)F
InChIInChI=1S/C13H17F3N2O.ClH/c14-13(15,16)10-12(19)18(9-7-17)8-6-11-4-2-1-3-5-11;/h1-5H,6-10,17H2;1H
InChIKeySLTDZAUXASLYBA-UHFFFAOYSA-N
XLogP2.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 120884359
N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120886571
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493544
N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
N-(2-aminoethyl)-2,2-difluoro-2-phenyl-N-(2-phenylethyl)acetamide
CID 120885258
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide
CID 120886814
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride (CID 120886805) is N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)CC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is SLTDZAUXASLYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.ClH/c14-13(15,16)10-12(19)18(9-7-17)8-6-11-4-2-1-3-5-11;/h1-5H,6-10,17H2;1H.
What are the key properties of N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride?
N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 310.75 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120886805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).