2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine

C16H16F3NO — CID 107292755

IUPAC2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)CONCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)12-21-20-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,20H,11-12H2
InChIKeyYIQKRZPGFIZPAN-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.90
Rot. Bonds6

About 2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine

2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 107292755) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID107292755
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)CONCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)12-21-20-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,20H,11-12H2
InChIKeyYIQKRZPGFIZPAN-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine 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

(2R)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine
CID 9860006
2,2-Bis(4-fluorophenyl)ethanamine
CID 819761
(2S)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine
CID 10038285
3,3-Bis(3-fluorophenyl)-2-methylpropan-1-amine
CID 22708366
2-[2-(1,1,2,2-Tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride
CID 90675033
3-(2-Fluorophenyl)-2-phenylpropan-1-amine
CID 5193948
(S)-(-)-2-Amino-1-fluoro-4-methyl-1,1-diphenylpentane
CID 10199344
(2S)-1-Fluoro-3-methyl-1,1-diphenylbutan-2-amine
CID 16217106
(2R)-1-Fluoro-3-methyl-1,1-diphenylbutan-2-amine
CID 16217107
2-(2,3,4,5,6-Pentafluorophenyl)-2-phenylethanamine
CID 134837754
1-Fluoro-3-methyl-1,1-diphenylbutan-2-amine
CID 3702655
2-Phenyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 3858057

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine (CID 107292755) is 2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)CONCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is YIQKRZPGFIZPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)12-21-20-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,20H,11-12H2.
What are the key properties of 2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine?
2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 107292755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).