2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine

C16H18F2N2 — CID 105406043

IUPAC2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ncccc1C
InChIInChI=1S/C16H18F2N2/c1-3-19-15(16-11(2)5-4-6-20-16)9-12-7-13(17)10-14(18)8-12/h4-8,10,15,19H,3,9H2,1-2H3
InChIKeyMXCKWLAAQIQZPI-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.56
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine

2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 105406043) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
PubChem CID105406043
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ncccc1C
InChIInChI=1S/C16H18F2N2/c1-3-19-15(16-11(2)5-4-6-20-16)9-12-7-13(17)10-14(18)8-12/h4-8,10,15,19H,3,9H2,1-2H3
InChIKeyMXCKWLAAQIQZPI-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-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 65476888
N-ethyl-2-(furan-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 83176213
2-(3,5-difluorophenyl)-N-ethyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 105406857
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
N-ethyl-1-(3-methyl-2-pyridinyl)but-3-yn-1-amine
CID 62235339
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 82877213
2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63416923
2-(3,5-difluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 105406641
2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol
CID 79701389
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 103040362
2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 62605765
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine (CID 105406043) is 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine is CCNC(Cc1cc(F)cc(F)c1)c1ncccc1C.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is MXCKWLAAQIQZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-3-19-15(16-11(2)5-4-6-20-16)9-12-7-13(17)10-14(18)8-12/h4-8,10,15,19H,3,9H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine?
2-(3,5-difluorophenyl)-N-ethyl-1-(3-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-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 105406043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).