2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine

C16H18F2N2 — CID 105406867

IUPAC2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine
SMILESCCc1cnccc1C(Cc1cc(F)cc(F)c1)NC
InChIInChI=1S/C16H18F2N2/c1-3-12-10-20-5-4-15(12)16(19-2)8-11-6-13(17)9-14(18)7-11/h4-7,9-10,16,19H,3,8H2,1-2H3
InChIKeyZIWGAAKXEVJKEW-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.43
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine

2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine (PubChem CID 105406867) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine
PubChem CID105406867
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine
SMILESCCc1cnccc1C(Cc1cc(F)cc(F)c1)NC
InChIInChI=1S/C16H18F2N2/c1-3-12-10-20-5-4-15(12)16(19-2)8-11-6-13(17)9-14(18)7-11/h4-7,9-10,16,19H,3,8H2,1-2H3
InChIKeyZIWGAAKXEVJKEW-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

N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374281
2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 55078368
[1-(3-chloro-4-pyridinyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413071
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 105412480
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406972
2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 105406726
2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 105406856
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412712
[1-(3-ethyl-4-pyridinyl)-4,4,4-trifluorobutyl]hydrazine
CID 105262044
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963304

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine (CID 105406867) is 2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine is CCc1cnccc1C(Cc1cc(F)cc(F)c1)NC.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine?
The InChIKey is ZIWGAAKXEVJKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-3-12-10-20-5-4-15(12)16(19-2)8-11-6-13(17)9-14(18)7-11/h4-7,9-10,16,19H,3,8H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine?
2-(3,5-difluorophenyl)-1-(3-ethyl-4-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-(3,5-difluorophenyl)-1-(3-ethyl-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105406867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).