N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C12H20F3N3O — CID 103215787

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)F)Cc1nccn1CC
InChIInChI=1S/C12H20F3N3O/c1-3-16-10(8-19-9-12(13,14)15)7-11-17-5-6-18(11)4-2/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyGTVIJAGHHQHRJJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.00
Rot. Bonds8

About N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215787) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215787
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)F)Cc1nccn1CC
InChIInChI=1S/C12H20F3N3O/c1-3-16-10(8-19-9-12(13,14)15)7-11-17-5-6-18(11)4-2/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyGTVIJAGHHQHRJJ-UHFFFAOYSA-N
XLogP2.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215840
N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine
CID 79751835
1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
CID 79752808
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79752901
1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215835
1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761877
1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
CID 79762134
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335
1-(1-ethylimidazol-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215345
N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
CID 79751315

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215787) is N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCNC(COCC(F)(F)F)Cc1nccn1CC.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is GTVIJAGHHQHRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-3-16-10(8-19-9-12(13,14)15)7-11-17-5-6-18(11)4-2/h5-6,10,16H,3-4,7-9H2,1-2H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 279.31 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).