2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide

C13H16F4N2O — CID 106291040

IUPAC2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESNCC(Cc1ccccc1)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C13H16F4N2O/c14-12(15)13(16,17)8-19-11(20)10(7-18)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8,18H2,(H,19,20)
InChIKeyCUXZYKRVOVJVHO-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.82
Rot. Bonds7

About 2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide

2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide (PubChem CID 106291040) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
PubChem CID106291040
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESNCC(Cc1ccccc1)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C13H16F4N2O/c14-12(15)13(16,17)8-19-11(20)10(7-18)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8,18H2,(H,19,20)
InChIKeyCUXZYKRVOVJVHO-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289370
2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide
CID 63002980
2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide
CID 106335596
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106295261
2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82940849
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 69029068
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 63293627
2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide
CID 62095432
(2R)-2-fluoro-3-phenylpropan-1-amine
CID 69274217
4-[[2-(aminomethyl)-3-(4-fluorophenyl)propanoyl]amino]-5-phenylpentanoic acid
CID 154870589
(2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide
CID 167585610
2-methyl-3-oxo-3-(2,2,3,3-tetrafluoropropylamino)propanoic acid
CID 106295621

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The IUPAC name of 2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide (CID 106291040) is 2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide is NCC(Cc1ccccc1)C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The InChIKey is CUXZYKRVOVJVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c14-12(15)13(16,17)8-19-11(20)10(7-18)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8,18H2,(H,19,20).
What are the key properties of 2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide has a molecular weight of 292.28 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide is sourced from PubChem (CID 106291040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).