N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine

C15H18F3N3 — CID 79751877

IUPACN-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H18F3N3/c1-3-19-13(9-14-20-5-6-21(14)4-2)10-7-11(16)15(18)12(17)8-10/h5-8,13,19H,3-4,9H2,1-2H3
InChIKeyBZHKROSFBFTDIF-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.21
Rot. Bonds6

About N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine

N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine (PubChem CID 79751877) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine
PubChem CID79751877
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H18F3N3/c1-3-19-13(9-14-20-5-6-21(14)4-2)10-7-11(16)15(18)12(17)8-10/h5-8,13,19H,3-4,9H2,1-2H3
InChIKeyBZHKROSFBFTDIF-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009248
1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009096
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 107539233
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
CID 79751577
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81301344
N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 79752632
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105165788
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79751615
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105165931
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105009083
1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79752703

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine (CID 79751877) is N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine is CCNC(Cc1nccn1CC)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine?
The InChIKey is BZHKROSFBFTDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-19-13(9-14-20-5-6-21(14)4-2)10-7-11(16)15(18)12(17)8-10/h5-8,13,19H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine?
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine has a molecular weight of 297.32 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 79751877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).