N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine

C13H18F3NO3 — CID 43490252

IUPACN-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine
SMILESCCNC(c1c(OC)cc(OC)cc1OC)C(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-5-17-12(13(14,15)16)11-9(19-3)6-8(18-2)7-10(11)20-4/h6-7,12,17H,5H2,1-4H3
InChIKeyLSCOXNIZTANBIU-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine

N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine (PubChem CID 43490252) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine
PubChem CID43490252
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC NameN-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine
SMILESCCNC(c1c(OC)cc(OC)cc1OC)C(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-5-17-12(13(14,15)16)11-9(19-3)6-8(18-2)7-10(11)20-4/h6-7,12,17H,5H2,1-4H3
InChIKeyLSCOXNIZTANBIU-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,2-difluoro-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 80604341
N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66204962
N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 43490262
N,2,2-trimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 62679934
1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 163278599
(1S,3S)-3-amino-4,4,4-trifluoro-1-(2,4,6-trimethoxyphenyl)butan-1-ol
CID 171237284
(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride
CID 171239954
(1R,3R)-3-amino-4,4,4-trifluoro-1-(2,4,6-trimethoxyphenyl)butan-1-ol;hydrochloride
CID 171237897
N-[(2-methylcyclopropyl)-(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 43490270
N-ethyl-2,2,2-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)ethanamine
CID 83057070
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
1-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 54880574

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine (CID 43490252) is N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine is CCNC(c1c(OC)cc(OC)cc1OC)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine?
The InChIKey is LSCOXNIZTANBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-5-17-12(13(14,15)16)11-9(19-3)6-8(18-2)7-10(11)20-4/h6-7,12,17H,5H2,1-4H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine?
N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine has a molecular weight of 293.29 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 43490252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).