2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

C25H26F3NO — CID 10001785

IUPAC2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCCOC(CN(C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C25H26F3NO/c1-3-30-24(21-9-5-4-6-10-21)18-29(2)17-19-13-15-20(16-14-19)22-11-7-8-12-23(22)25(26,27)28/h4-16,24H,3,17-18H2,1-2H3
InChIKeyZLDKAXMNCHDELS-UHFFFAOYSA-N
MW413.48 g/mol
LogP6.58
Rot. Bonds8

About 2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (PubChem CID 10001785) has the molecular formula C25H26F3NO and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
PubChem CID10001785
Molecular FormulaC25H26F3NO
Molecular Weight413.48 g/mol
Exact Mass413.20
IUPAC Name2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCCOC(CN(C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C25H26F3NO/c1-3-30-24(21-9-5-4-6-10-21)18-29(2)17-19-13-15-20(16-14-19)22-11-7-8-12-23(22)25(26,27)28/h4-16,24H,3,17-18H2,1-2H3
InChIKeyZLDKAXMNCHDELS-UHFFFAOYSA-N
XLogP6.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nefopam
CID 4450
Nefopam Hydrochloride
CID 155290
1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-(2-phenylethyl)piperazine
CID 12634880
1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine
CID 24825337
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-phenyl-propyl)-piperidine
CID 44316307
(+)-Nefopam
CID 184147
1''-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofuran-1,4''-piperidine]
CID 44474938
1'-Benzyl-3-(2-fluoroethyl)-3h-spiro[isobenzofurane-1,4'-piperidine]
CID 50994498
1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 53323057
1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 56840667
1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57392003
1'-benzyl-1-(4-fluorobutyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402462

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (CID 10001785) is 2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is CCOC(CN(C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is ZLDKAXMNCHDELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3NO/c1-3-30-24(21-9-5-4-6-10-21)18-29(2)17-19-13-15-20(16-14-19)22-11-7-8-12-23(22)25(26,27)28/h4-16,24H,3,17-18H2,1-2H3.
What are the key properties of 2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine has a molecular weight of 413.48 g/mol, XLogP of 6.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 10001785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).