3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol

C16H18F2N2O — CID 83111121

IUPAC3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCN(CCC(O)c1ccc(F)cn1)c1ccccc1F
InChIInChI=1S/C16H18F2N2O/c1-2-20(15-6-4-3-5-13(15)18)10-9-16(21)14-8-7-12(17)11-19-14/h3-8,11,16,21H,2,9-10H2,1H3
InChIKeyRFJNLZOQVTYCKZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.31
Rot. Bonds6

About 3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol

3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 83111121) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID83111121
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCN(CCC(O)c1ccc(F)cn1)c1ccccc1F
InChIInChI=1S/C16H18F2N2O/c1-2-20(15-6-4-3-5-13(15)18)10-9-16(21)14-8-7-12(17)11-19-14/h3-8,11,16,21H,2,9-10H2,1H3
InChIKeyRFJNLZOQVTYCKZ-UHFFFAOYSA-N
XLogP3.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
CID 64791728
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126803
1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 83126589
3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126666
2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
CID 63054175
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
CID 79722278
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 83126443
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 83111329
1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
CID 114473963
3-[(3-chlorophenyl)methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83110765

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 83111121) is 3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol is CCN(CCC(O)c1ccc(F)cn1)c1ccccc1F.
What is the InChIKey of 3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is RFJNLZOQVTYCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-2-20(15-6-4-3-5-13(15)18)10-9-16(21)14-8-7-12(17)11-19-14/h3-8,11,16,21H,2,9-10H2,1H3.
What are the key properties of 3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 292.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 83111121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).