2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine

C16H18F2N2 — CID 82730771

IUPAC2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1cccnc1C(Cc1ccc(F)cc1F)NC
InChIInChI=1S/C16H18F2N2/c1-3-11-5-4-8-20-16(11)15(19-2)9-12-6-7-13(17)10-14(12)18/h4-8,10,15,19H,3,9H2,1-2H3
InChIKeyGRAVBBFLJJRWDU-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.43
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine

2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine (PubChem CID 82730771) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
PubChem CID82730771
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1cccnc1C(Cc1ccc(F)cc1F)NC
InChIInChI=1S/C16H18F2N2/c1-3-11-5-4-8-20-16(11)15(19-2)9-12-6-7-13(17)10-14(12)18/h4-8,10,15,19H,3,9H2,1-2H3
InChIKeyGRAVBBFLJJRWDU-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397
1-(3-ethyl-2-pyridinyl)-2-(furan-2-yl)-N-methylethanamine
CID 83182583
[1-(3-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105268167
3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine
CID 107920651
2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 114855034
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine
CID 103049000
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732649
1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine
CID 82729620
2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105117177
[1-(3-ethyl-2-pyridinyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105263790
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239
2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105190365

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine (CID 82730771) is 2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine is CCc1cccnc1C(Cc1ccc(F)cc1F)NC.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is GRAVBBFLJJRWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-3-11-5-4-8-20-16(11)15(19-2)9-12-6-7-13(17)10-14(12)18/h4-8,10,15,19H,3,9H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine?
2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 276.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 82730771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).