1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine

C16H18F2N2 — CID 105142109

IUPAC1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1cccnc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H18F2N2/c1-2-20-16(6-5-12-4-3-7-19-11-12)13-8-14(17)10-15(18)9-13/h3-4,7-11,16,20H,2,5-6H2,1H3
InChIKeyGNAOMSFZRKGEAN-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.64
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine

1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 105142109) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
PubChem CID105142109
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1cccnc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H18F2N2/c1-2-20-16(6-5-12-4-3-7-19-11-12)13-8-14(17)10-15(18)9-13/h3-4,7-11,16,20H,2,5-6H2,1H3
InChIKeyGNAOMSFZRKGEAN-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106647869
1-(4-chloro-3-methoxyphenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105164610
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 66425447
N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine
CID 64500356
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine
CID 105098484
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105105357

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine (CID 105142109) is 1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine is CCNC(CCc1cccnc1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is GNAOMSFZRKGEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-2-20-16(6-5-12-4-3-7-19-11-12)13-8-14(17)10-15(18)9-13/h3-4,7-11,16,20H,2,5-6H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine?
1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 276.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105142109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).