1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine

C14H17F2N3 — CID 79751985

IUPAC1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3/c1-3-17-13(9-14-18-6-7-19(14)2)11-8-10(15)4-5-12(11)16/h4-8,13,17H,3,9H2,1-2H3
InChIKeyGHAGHYLAUDNPQE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.59
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine

1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 79751985) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID79751985
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3/c1-3-17-13(9-14-18-6-7-19(14)2)11-8-10(15)4-5-12(11)16/h4-8,13,17H,3,9H2,1-2H3
InChIKeyGHAGHYLAUDNPQE-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530197
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761359
1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105143859
1-(2,3-dichlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011522
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011269
1-(2-tert-butylphenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011445
[1-(2,4-difluoro-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322993
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
N-ethyl-2-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylethanamine
CID 105167077
N-ethyl-1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167171
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine (CID 79751985) is 1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine is CCNC(Cc1nccn1C)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is GHAGHYLAUDNPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-17-13(9-14-18-6-7-19(14)2)11-8-10(15)4-5-12(11)16/h4-8,13,17H,3,9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79751985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).