1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine

C16H21F2N3 — CID 105009248

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H21F2N3/c1-4-19-13(10-14-20-8-9-21(14)5-2)15-12(17)7-6-11(3)16(15)18/h6-9,13,19H,4-5,10H2,1-3H3
InChIKeyFQSGSGPCNAHAGR-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.38
Rot. Bonds6

About 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine

1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 105009248) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
PubChem CID105009248
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H21F2N3/c1-4-19-13(10-14-20-8-9-21(14)5-2)15-12(17)7-6-11(3)16(15)18/h6-9,13,19H,4-5,10H2,1-3H3
InChIKeyFQSGSGPCNAHAGR-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105009083
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009162
N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 79752632
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 82823040
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81301344
[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
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79751615
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 82797111

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine (CID 105009248) is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine is CCNC(Cc1nccn1CC)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is FQSGSGPCNAHAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-4-19-13(10-14-20-8-9-21(14)5-2)15-12(17)7-6-11(3)16(15)18/h6-9,13,19H,4-5,10H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine?
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine has a molecular weight of 293.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105009248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).