2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine

C16H15F4N — CID 79517373

IUPAC2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1c(F)cccc1F
InChIInChI=1S/C16H15F4N/c1-2-21-14(15-11(17)6-4-7-12(15)18)9-10-5-3-8-13(19)16(10)20/h3-8,14,21H,2,9H2,1H3
InChIKeyGLXRVAUVTALROC-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.14
Rot. Bonds5

About 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine

2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine (PubChem CID 79517373) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
PubChem CID79517373
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1c(F)cccc1F
InChIInChI=1S/C16H15F4N/c1-2-21-14(15-11(17)6-4-7-12(15)18)9-10-5-3-8-13(19)16(10)20/h3-8,14,21H,2,9H2,1H3
InChIKeyGLXRVAUVTALROC-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 114559964
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 79522491
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
CID 79405772
2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105137731
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 82871396
2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 115805148
1-(2,6-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182160

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine (CID 79517373) is 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1F)c1c(F)cccc1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine?
The InChIKey is GLXRVAUVTALROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-2-21-14(15-11(17)6-4-7-12(15)18)9-10-5-3-8-13(19)16(10)20/h3-8,14,21H,2,9H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine?
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine has a molecular weight of 297.30 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 79517373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).