N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine

C15H20FN3 — CID 79752469

IUPACN-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-3-17-14(12-7-5-6-8-13(12)16)11-15-18-9-10-19(15)4-2/h5-10,14,17H,3-4,11H2,1-2H3
InChIKeyHZCJXKZKNAWEFT-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.94
Rot. Bonds6

About N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine

N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine (PubChem CID 79752469) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
PubChem CID79752469
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-3-17-14(12-7-5-6-8-13(12)16)11-15-18-9-10-19(15)4-2/h5-10,14,17H,3-4,11H2,1-2H3
InChIKeyHZCJXKZKNAWEFT-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81301344
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 107539233
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 79751877
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009248
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
[2-(1-ethylimidazol-2-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105321923
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
CID 79751577
[2-(1-ethylimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105321898
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79751615
2-(1-ethylimidazol-2-yl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105009546
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-(2-fluorophenyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine (CID 79752469) is N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine is CCNC(Cc1nccn1CC)c1ccccc1F.
What is the InChIKey of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine?
The InChIKey is HZCJXKZKNAWEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-17-14(12-7-5-6-8-13(12)16)11-15-18-9-10-19(15)4-2/h5-10,14,17H,3-4,11H2,1-2H3.
What are the key properties of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine?
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.94, 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-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 79752469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).