N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine

C13H18F3NO3 — CID 66204962

IUPACN-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCCNC(c1cc(OC)c(OC)c(OC)c1)C(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-5-17-12(13(14,15)16)8-6-9(18-2)11(20-4)10(7-8)19-3/h6-7,12,17H,5H2,1-4H3
InChIKeyFANJYZBAWJOHCD-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine

N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 66204962) 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-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID66204962
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC NameN-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCCNC(c1cc(OC)c(OC)c(OC)c1)C(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-5-17-12(13(14,15)16)8-6-9(18-2)11(20-4)10(7-8)19-3/h6-7,12,17H,5H2,1-4H3
InChIKeyFANJYZBAWJOHCD-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-2,2,2-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)ethanamine
CID 83057070
N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-en-1-amine
CID 25146159
N-ethyl-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43490252
N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine
CID 105013814
2-(ethylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 43115147
(1S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66512237
1-(4-chloro-5-methoxy-2-pyridinyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 163278599
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
N-ethyl-1-(3,4,5-trimethoxyphenyl)pent-3-yn-1-amine
CID 115819415
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
2-(2-cyanophenoxy)-N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 75449088

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 66204962) is N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine is CCNC(c1cc(OC)c(OC)c(OC)c1)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is FANJYZBAWJOHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-5-17-12(13(14,15)16)8-6-9(18-2)11(20-4)10(7-8)19-3/h6-7,12,17H,5H2,1-4H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine?
N-ethyl-2,2,2-trifluoro-1-(3,4,5-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-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 66204962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).