N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

C12H15F3N2O2 — CID 16792149

IUPACN-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNCc1ccc(NC(=O)CCOCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-19-6-5-11(18)17-10-3-1-9(7-16)2-4-10/h1-4H,5-8,16H2,(H,17,18)
InChIKeyXHJSZFYPKRQAON-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.05
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 16792149) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID16792149
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNCc1ccc(NC(=O)CCOCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-19-6-5-11(18)17-10-3-1-9(7-16)2-4-10/h1-4H,5-8,16H2,(H,17,18)
InChIKeyXHJSZFYPKRQAON-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

Analyze N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(bromomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212488
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025
N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide
CID 106200311
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205402
N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277586
2-[3-[3-(2,2,2-trifluoroethoxy)propanoylamino]phenyl]acetic acid
CID 65346637
N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43540442
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205414
N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209213
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806990
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide
CID 65483564

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 16792149) is N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is NCc1ccc(NC(=O)CCOCC(F)(F)F)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is XHJSZFYPKRQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)8-19-6-5-11(18)17-10-3-1-9(7-16)2-4-10/h1-4H,5-8,16H2,(H,17,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 276.26 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 16792149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).