2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine

C18H16F2N4O2 — CID 135246704

IUPAC2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine
SMILESCOc1ncccc1-c1cccnc1Oc1ccc(C(F)(F)CN)nc1
InChIInChI=1S/C18H16F2N4O2/c1-25-16-13(4-2-8-22-16)14-5-3-9-23-17(14)26-12-6-7-15(24-10-12)18(19,20)11-21/h2-10H,11,21H2,1H3
InChIKeyZMKGPFZJTDPAHB-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.39
Rot. Bonds6

About 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine

2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine (PubChem CID 135246704) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine
PubChem CID135246704
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine
SMILESCOc1ncccc1-c1cccnc1Oc1ccc(C(F)(F)CN)nc1
InChIInChI=1S/C18H16F2N4O2/c1-25-16-13(4-2-8-22-16)14-5-3-9-23-17(14)26-12-6-7-15(24-10-12)18(19,20)11-21/h2-10H,11,21H2,1H3
InChIKeyZMKGPFZJTDPAHB-UHFFFAOYSA-N
XLogP3.39
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine?
The IUPAC name of 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine (CID 135246704) is 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine?
The canonical SMILES for 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine is COc1ncccc1-c1cccnc1Oc1ccc(C(F)(F)CN)nc1.
What is the InChIKey of 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine?
The InChIKey is ZMKGPFZJTDPAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-25-16-13(4-2-8-22-16)14-5-3-9-23-17(14)26-12-6-7-15(24-10-12)18(19,20)11-21/h2-10H,11,21H2,1H3.
What are the key properties of 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine?
2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine has a molecular weight of 358.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine is sourced from PubChem (CID 135246704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).