2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine

C12H16F3NO — CID 53276238

IUPAC2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCOC(CNC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-3-17-11(8-16-2)9-5-4-6-10(7-9)12(13,14)15/h4-7,11,16H,3,8H2,1-2H3
InChIKeyXPKBSJXCZQCZBW-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.00
Rot. Bonds5

About 2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine

2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 53276238) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID53276238
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCOC(CNC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-3-17-11(8-16-2)9-5-4-6-10(7-9)12(13,14)15/h4-7,11,16H,3,8H2,1-2H3
InChIKeyXPKBSJXCZQCZBW-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 44562793
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 64535416
(2R)-2-ethoxy-N-methyl-2-naphthalen-2-ylethanamine
CID 95001736
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112688216
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62456852
1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene
CID 10589008
2-[3-(1,1-difluoroethyl)phenyl]-N-methylbutan-1-amine
CID 116992501
2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 78910480
2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103917723

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 53276238) is 2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine is CCOC(CNC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is XPKBSJXCZQCZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-17-11(8-16-2)9-5-4-6-10(7-9)12(13,14)15/h4-7,11,16H,3,8H2,1-2H3.
What are the key properties of 2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 247.26 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 53276238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).