N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide

C12H15F3N2O2 — CID 16789668

IUPACN-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(19-7-12(13,14)15)11(18)17-10-4-2-9(6-16)3-5-10/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyZIBPYTKYUJGKRA-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.05
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 16789668) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID16789668
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C12H15F3N2O2/c1-8(19-7-12(13,14)15)11(18)17-10-4-2-9(6-16)3-5-10/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyZIBPYTKYUJGKRA-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide
CID 42960594
N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82003922
N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide
CID 60725469
(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943627
(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38908113
N-(4-pyrrolidin-1-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 42960613
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 87032175
N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103487081
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38884944
(2R)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 97244607
(2S)-N-[6-[methyl-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 97244606

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 16789668) is N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ZIBPYTKYUJGKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(19-7-12(13,14)15)11(18)17-10-4-2-9(6-16)3-5-10/h2-5,8H,6-7,16H2,1H3,(H,17,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 276.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 16789668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).