N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine

C15H17F2N3 — CID 102612607

IUPACN-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1nccnc1C(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H17F2N3/c1-10(15-11(2)19-5-6-20-15)18-4-3-12-7-13(16)9-14(17)8-12/h5-10,18H,3-4H2,1-2H3
InChIKeyCIGGERHYRXUQFN-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine

N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine (PubChem CID 102612607) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
PubChem CID102612607
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1nccnc1C(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H17F2N3/c1-10(15-11(2)19-5-6-20-15)18-4-3-12-7-13(16)9-14(17)8-12/h5-10,18H,3-4H2,1-2H3
InChIKeyCIGGERHYRXUQFN-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612241
N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612221
3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612905
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612667
N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 62604425
N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62604800
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630
1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 62604981
1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 63476814
N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine
CID 62605156
N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 62605165
N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
CID 62604631

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine (CID 102612607) is N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine is Cc1nccnc1C(C)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The InChIKey is CIGGERHYRXUQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-10(15-11(2)19-5-6-20-15)18-4-3-12-7-13(16)9-14(17)8-12/h5-10,18H,3-4H2,1-2H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine has a molecular weight of 277.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 102612607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).