N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide

C12H15F3N2O — CID 28684436

IUPACN-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-9(18)17-6-5-16-8-10-3-2-4-11(7-10)12(13,14)15/h2-4,7,16H,5-6,8H2,1H3,(H,17,18)
InChIKeyHOGRKPJRHYEKON-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.93
Rot. Bonds5

About N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide

N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide (PubChem CID 28684436) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
PubChem CID28684436
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-9(18)17-6-5-16-8-10-3-2-4-11(7-10)12(13,14)15/h2-4,7,16H,5-6,8H2,1H3,(H,17,18)
InChIKeyHOGRKPJRHYEKON-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43090002
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 60761684
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
N-[2-[[N-ethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111268302
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 62227696
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 104643670
hydroxy-[3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]carbamic acid
CID 87514540

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide (CID 28684436) is N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide?
The InChIKey is HOGRKPJRHYEKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-9(18)17-6-5-16-8-10-3-2-4-11(7-10)12(13,14)15/h2-4,7,16H,5-6,8H2,1H3,(H,17,18).
What are the key properties of N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide?
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide has a molecular weight of 260.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 28684436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).