2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline

C12H17F3N2 — CID 55010759

IUPAC2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccccc1C(C)N
InChIInChI=1S/C12H17F3N2/c1-3-17(8-12(13,14)15)11-7-5-4-6-10(11)9(2)16/h4-7,9H,3,8,16H2,1-2H3
InChIKeyAVLUWKKJUSICRZ-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.09
Rot. Bonds4

About 2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline

2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 55010759) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID55010759
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccccc1C(C)N
InChIInChI=1S/C12H17F3N2/c1-3-17(8-12(13,14)15)11-7-5-4-6-10(11)9(2)16/h4-7,9H,3,8,16H2,1-2H3
InChIKeyAVLUWKKJUSICRZ-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]propan-1-ol
CID 113358997
2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55010761
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
CID 78935741
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735
N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 55009119
4-(1-aminoethyl)-2-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 62911180
1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 79516687
2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480549

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline (CID 55010759) is 2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline is CCN(CC(F)(F)F)c1ccccc1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is AVLUWKKJUSICRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-3-17(8-12(13,14)15)11-7-5-4-6-10(11)9(2)16/h4-7,9H,3,8,16H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 246.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 55010759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).