1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol

C15H16F2N2O — CID 60909735

IUPAC1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
SMILESCC(NCC(O)c1cc(F)ccc1F)c1ccccn1
InChIInChI=1S/C15H16F2N2O/c1-10(14-4-2-3-7-18-14)19-9-15(20)12-8-11(16)5-6-13(12)17/h2-8,10,15,19-20H,9H2,1H3
InChIKeyPJDMPTYDHWEXSZ-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.74
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol

1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol (PubChem CID 60909735) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
PubChem CID60909735
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
SMILESCC(NCC(O)c1cc(F)ccc1F)c1ccccn1
InChIInChI=1S/C15H16F2N2O/c1-10(14-4-2-3-7-18-14)19-9-15(20)12-8-11(16)5-6-13(12)17/h2-8,10,15,19-20H,9H2,1H3
InChIKeyPJDMPTYDHWEXSZ-UHFFFAOYSA-N
XLogP2.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81401380
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
CID 81347558
1-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81406911
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol
CID 60979926
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol (CID 60909735) is 1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol is CC(NCC(O)c1cc(F)ccc1F)c1ccccn1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol?
The InChIKey is PJDMPTYDHWEXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10(14-4-2-3-7-18-14)19-9-15(20)12-8-11(16)5-6-13(12)17/h2-8,10,15,19-20H,9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol?
1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol has a molecular weight of 278.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol is sourced from PubChem (CID 60909735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).