2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C12H16F3NO — CID 60733353

IUPAC2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCc1ccccc1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)10-17-9-8-16-7-6-11-4-2-1-3-5-11/h1-5,16H,6-10H2
InChIKeyVEWBLNPXOWNUIL-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.40
Rot. Bonds7

About 2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 60733353) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID60733353
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCc1ccccc1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)10-17-9-8-16-7-6-11-4-2-1-3-5-11/h1-5,16H,6-10H2
InChIKeyVEWBLNPXOWNUIL-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55031740
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55031855
N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491191
N-[2-(4-nitrophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491418
2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]aniline
CID 66417301
2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 103001408
4-[2-[3-[2-(2-phenylethylamino)ethoxy]propylamino]ethyl]benzene-1,2-diol
CID 19860198
[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol
CID 113365792
2-phenyl-N-(trifluoromethoxy)ethanamine;hydrochloride
CID 87553489
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
CID 114333296

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 60733353) is 2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is FC(F)(F)COCCNCCc1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is VEWBLNPXOWNUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c13-12(14,15)10-17-9-8-16-7-6-11-4-2-1-3-5-11/h1-5,16H,6-10H2.
What are the key properties of 2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 247.26 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 60733353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).