2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine

C16H18F2N2 — CID 63554372

IUPAC2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1cccc(C)n1
InChIInChI=1S/C16H18F2N2/c1-3-19-16(15-6-4-5-11(2)20-15)10-12-9-13(17)7-8-14(12)18/h4-9,16,19H,3,10H2,1-2H3
InChIKeyZMJBDRMWRQVUIX-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.56
Rot. Bonds5

About 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine

2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine (PubChem CID 63554372) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
PubChem CID63554372
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1cccc(C)n1
InChIInChI=1S/C16H18F2N2/c1-3-19-16(15-6-4-5-11(2)20-15)10-12-9-13(17)7-8-14(12)18/h4-9,16,19H,3,10H2,1-2H3
InChIKeyZMJBDRMWRQVUIX-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 105373892
2-(3,4-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 82922139
2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115809563
2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988553
2-(2,5-difluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115810208
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
CID 104805432
2-ethoxy-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 79574743
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
2-(5-chloro-2-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 103048658
2-(2,5-difluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115810060
1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105135

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine (CID 63554372) is 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine is CCNC(Cc1cc(F)ccc1F)c1cccc(C)n1.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine?
The InChIKey is ZMJBDRMWRQVUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-3-19-16(15-6-4-5-11(2)20-15)10-12-9-13(17)7-8-14(12)18/h4-9,16,19H,3,10H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine?
2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine has a molecular weight of 276.33 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 63554372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).