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

C16H21F2N3 — CID 79751341

IUPAC1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NCC)c1cc(F)ccc1F
InChIInChI=1S/C16H21F2N3/c1-3-8-21-9-7-20-16(21)11-15(19-4-2)13-10-12(17)5-6-14(13)18/h5-7,9-10,15,19H,3-4,8,11H2,1-2H3
InChIKeyHYDGJYRZKGMTQK-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.46
Rot. Bonds7

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

1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 79751341) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID79751341
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NCC)c1cc(F)ccc1F
InChIInChI=1S/C16H21F2N3/c1-3-8-21-9-7-20-16(21)11-15(19-4-2)13-10-12(17)5-6-14(13)18/h5-7,9-10,15,19H,3-4,8,11H2,1-2H3
InChIKeyHYDGJYRZKGMTQK-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751985
[1-(2,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105216699
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012514
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012207
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
[(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105219387
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012426
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
[1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323392
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751631
1-(2-fluoro-5-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115820989

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine (CID 79751341) is 1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NCC)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is HYDGJYRZKGMTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-3-8-21-9-7-20-16(21)11-15(19-4-2)13-10-12(17)5-6-14(13)18/h5-7,9-10,15,19H,3-4,8,11H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 293.36 g/mol, XLogP of 3.46, 7 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-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79751341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).