2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine

C15H15F3N2 — CID 115805148

IUPAC2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1cncc(F)c1
InChIInChI=1S/C15H15F3N2/c1-2-20-14(11-6-12(16)9-19-8-11)7-10-4-3-5-13(17)15(10)18/h3-6,8-9,14,20H,2,7H2,1H3
InChIKeyHCGJSGBZDUNTDF-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.39
Rot. Bonds5

About 2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine

2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine (PubChem CID 115805148) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
PubChem CID115805148
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1cncc(F)c1
InChIInChI=1S/C15H15F3N2/c1-2-20-14(11-6-12(16)9-19-8-11)7-10-4-3-5-13(17)15(10)18/h3-6,8-9,14,20H,2,7H2,1H3
InChIKeyHCGJSGBZDUNTDF-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026123
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 62551241
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181704
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 82790001
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181176
2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 62596666
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105122153
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine
CID 65143289
2-(3-chlorophenoxy)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105102021

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine (CID 115805148) is 2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine is CCNC(Cc1cccc(F)c1F)c1cncc(F)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is HCGJSGBZDUNTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-2-20-14(11-6-12(16)9-19-8-11)7-10-4-3-5-13(17)15(10)18/h3-6,8-9,14,20H,2,7H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 280.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 115805148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).