1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine

C16H15F4N — CID 43674206

IUPAC1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1cc(F)ccc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H15F4N/c1-9(13-5-3-12(18)8-16(13)20)21-10(2)14-7-11(17)4-6-15(14)19/h3-10,21H,1-2H3
InChIKeyJRMYOXNIYAJJPT-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.65
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine

1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine (PubChem CID 43674206) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
PubChem CID43674206
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1cc(F)ccc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H15F4N/c1-9(13-5-3-12(18)8-16(13)20)21-10(2)14-7-11(17)4-6-15(14)19/h3-10,21H,1-2H3
InChIKeyJRMYOXNIYAJJPT-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
2-[1-[1-(2,4-difluorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710599
1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233
N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine
CID 43779230
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172
N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43674237
1-(2,4-difluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81399961

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine (CID 43674206) is 1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine is CC(NC(C)c1cc(F)ccc1F)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
The InChIKey is JRMYOXNIYAJJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-9(13-5-3-12(18)8-16(13)20)21-10(2)14-7-11(17)4-6-15(14)19/h3-10,21H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine?
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine has a molecular weight of 297.30 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43674206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).