1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine

C17H20F2N2 — CID 82797111

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(C)cn1)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H20F2N2/c1-4-20-15(9-13-7-5-11(2)10-21-13)16-14(18)8-6-12(3)17(16)19/h5-8,10,15,20H,4,9H2,1-3H3
InChIKeyMEEFZKUBTKVIHG-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.87
Rot. Bonds5

About 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine

1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 82797111) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID82797111
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(C)cn1)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H20F2N2/c1-4-20-15(9-13-7-5-11(2)10-21-13)16-14(18)8-6-12(3)17(16)19/h5-8,10,15,20H,4,9H2,1-3H3
InChIKeyMEEFZKUBTKVIHG-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81454622
N-ethyl-2-(5-methyl-2-pyridinyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 66447725
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
CID 82815037
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
1-(2,6-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446542
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009248
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 82823040
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 82822293
1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81111195
N-ethyl-2-(5-methyl-2-pyridinyl)-1-pyridin-3-ylethanamine
CID 66447908

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine (CID 82797111) is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine is CCNC(Cc1ccc(C)cn1)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is MEEFZKUBTKVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-4-20-15(9-13-7-5-11(2)10-21-13)16-14(18)8-6-12(3)17(16)19/h5-8,10,15,20H,4,9H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 290.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 82797111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).