N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine

C12H16F3NO — CID 55120507

IUPACN-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(COC)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-3-16-11(8-17-2)9-6-4-5-7-10(9)12(13,14)15/h4-7,11,16H,3,8H2,1-2H3
InChIKeyXWVOZTPRSJECMD-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.00
Rot. Bonds5

About N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine

N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 55120507) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID55120507
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(COC)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-3-16-11(8-17-2)9-6-4-5-7-10(9)12(13,14)15/h4-7,11,16H,3,8H2,1-2H3
InChIKeyXWVOZTPRSJECMD-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

N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
CID 105145424
N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128216
N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 104987286
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine
CID 107506501
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 105096267
3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 103026863
N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63561717
N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105025280
N-ethyl-2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115821262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 55120507) is N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine is CCNC(COC)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is XWVOZTPRSJECMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-16-11(8-17-2)9-6-4-5-7-10(9)12(13,14)15/h4-7,11,16H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-2-methoxy-1-[2-(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 N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 55120507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).