3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine

C15H17F2N3 — CID 79522491

IUPAC3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
SMILESCCNC(Cc1cccnc1N)c1c(F)cccc1F
InChIInChI=1S/C15H17F2N3/c1-2-19-13(9-10-5-4-8-20-15(10)18)14-11(16)6-3-7-12(14)17/h3-8,13,19H,2,9H2,1H3,(H2,18,20)
InChIKeyHKLVXPTWISHCTR-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.84
Rot. Bonds5

About 3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine

3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine (PubChem CID 79522491) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
PubChem CID79522491
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
SMILESCCNC(Cc1cccnc1N)c1c(F)cccc1F
InChIInChI=1S/C15H17F2N3/c1-2-19-13(9-10-5-4-8-20-15(10)18)14-11(16)6-3-7-12(14)17/h3-8,13,19H,2,9H2,1H3,(H2,18,20)
InChIKeyHKLVXPTWISHCTR-UHFFFAOYSA-N
XLogP2.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 79517746
3-[2-(ethylamino)-2-(2-fluoro-3-methylphenyl)ethyl]pyridin-2-amine
CID 107111565
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 114894906
3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine
CID 107920651
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536
2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 114552816
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
1-(2-bromo-6-fluorophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 114559964
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66445906
3-[2-(methylamino)-2-(2-methylpyrimidin-4-yl)ethyl]pyridin-2-amine
CID 113329550

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine (CID 79522491) is 3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine is CCNC(Cc1cccnc1N)c1c(F)cccc1F.
What is the InChIKey of 3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine?
The InChIKey is HKLVXPTWISHCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-2-19-13(9-10-5-4-8-20-15(10)18)14-11(16)6-3-7-12(14)17/h3-8,13,19H,2,9H2,1H3,(H2,18,20).
What are the key properties of 3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine?
3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine has a molecular weight of 277.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 79522491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).