1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol

C15H21F2NO2 — CID 103776795

IUPAC1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1ccc(F)c(F)c1)C1CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-10(11-4-6-20-7-5-11)18-9-15(19)12-2-3-13(16)14(17)8-12/h2-3,8,10-11,15,18-19H,4-7,9H2,1H3
InChIKeyMORLATNKPCIWAD-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.40
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol

1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol (PubChem CID 103776795) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
PubChem CID103776795
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1ccc(F)c(F)c1)C1CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-10(11-4-6-20-7-5-11)18-9-15(19)12-2-3-13(16)14(17)8-12/h2-3,8,10-11,15,18-19H,4-7,9H2,1H3
InChIKeyMORLATNKPCIWAD-UHFFFAOYSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol
CID 54938804
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol
CID 62406830
1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol
CID 115891595
1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol
CID 109395452
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712
[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197058
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
CID 113259795

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol (CID 103776795) is 1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol is CC(NCC(O)c1ccc(F)c(F)c1)C1CCOCC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol?
The InChIKey is MORLATNKPCIWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-10(11-4-6-20-7-5-11)18-9-15(19)12-2-3-13(16)14(17)8-12/h2-3,8,10-11,15,18-19H,4-7,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol?
1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol has a molecular weight of 285.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol is sourced from PubChem (CID 103776795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).