1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol

C17H20F2N2O — CID 110013100

IUPAC1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol
SMILESCC(C)C(NCC(O)c1ccccc1F)c1ccc(F)cn1
InChIInChI=1S/C17H20F2N2O/c1-11(2)17(15-8-7-12(18)9-20-15)21-10-16(22)13-5-3-4-6-14(13)19/h3-9,11,16-17,21-22H,10H2,1-2H3
InChIKeyALHKQWAWISSCQP-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.38
Rot. Bonds6

About 1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol

1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol (PubChem CID 110013100) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol
PubChem CID110013100
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol
SMILESCC(C)C(NCC(O)c1ccccc1F)c1ccc(F)cn1
InChIInChI=1S/C17H20F2N2O/c1-11(2)17(15-8-7-12(18)9-20-15)21-10-16(22)13-5-3-4-6-14(13)19/h3-9,11,16-17,21-22H,10H2,1-2H3
InChIKeyALHKQWAWISSCQP-UHFFFAOYSA-N
XLogP3.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol (CID 110013100) is 1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol is CC(C)C(NCC(O)c1ccccc1F)c1ccc(F)cn1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol?
The InChIKey is ALHKQWAWISSCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O/c1-11(2)17(15-8-7-12(18)9-20-15)21-10-16(22)13-5-3-4-6-14(13)19/h3-9,11,16-17,21-22H,10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol?
1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol has a molecular weight of 306.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]ethanol is sourced from PubChem (CID 110013100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).