1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol

C16H18F2N2O2 — CID 110902098

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol
SMILESCC(NCC(O)c1ccc(OC(F)F)cc1)c1ccccn1
InChIInChI=1S/C16H18F2N2O2/c1-11(14-4-2-3-9-19-14)20-10-15(21)12-5-7-13(8-6-12)22-16(17)18/h2-9,11,15-16,20-21H,10H2,1H3
InChIKeyPHUJDGDYVDZMRA-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.07
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol

1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol (PubChem CID 110902098) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol
PubChem CID110902098
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol
SMILESCC(NCC(O)c1ccc(OC(F)F)cc1)c1ccccn1
InChIInChI=1S/C16H18F2N2O2/c1-11(14-4-2-3-9-19-14)20-10-15(21)12-5-7-13(8-6-12)22-16(17)18/h2-9,11,15-16,20-21H,10H2,1H3
InChIKeyPHUJDGDYVDZMRA-UHFFFAOYSA-N
XLogP3.07
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81401380
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81406911
1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79037238
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 110896910
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine
CID 66454217
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
CID 60909735

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol (CID 110902098) is 1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol is CC(NCC(O)c1ccc(OC(F)F)cc1)c1ccccn1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol?
The InChIKey is PHUJDGDYVDZMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c1-11(14-4-2-3-9-19-14)20-10-15(21)12-5-7-13(8-6-12)22-16(17)18/h2-9,11,15-16,20-21H,10H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol?
1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol has a molecular weight of 308.33 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol is sourced from PubChem (CID 110902098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).