1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone

C14H20FNO3 — CID 62030728

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CCCO)CC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H20FNO3/c1-10(2)16(6-3-7-17)9-14(19)12-8-11(15)4-5-13(12)18/h4-5,8,10,17-18H,3,6-7,9H2,1-2H3
InChIKeyLEASROBSUSSRHB-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.81
Rot. Bonds7

About 1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone

1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone (PubChem CID 62030728) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
PubChem CID62030728
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CCCO)CC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H20FNO3/c1-10(2)16(6-3-7-17)9-14(19)12-8-11(15)4-5-13(12)18/h4-5,8,10,17-18H,3,6-7,9H2,1-2H3
InChIKeyLEASROBSUSSRHB-UHFFFAOYSA-N
XLogP1.81
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 62050462
1-(2,4-dimethylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62031492
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
CID 62030923
1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795412
1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62031112
2-bromo-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038774
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide
CID 62053081
1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62029618
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
CID 62030544
2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038650
1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62029774

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone (CID 62030728) is 1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone is CC(C)N(CCCO)CC(=O)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The InChIKey is LEASROBSUSSRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-10(2)16(6-3-7-17)9-14(19)12-8-11(15)4-5-13(12)18/h4-5,8,10,17-18H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone has a molecular weight of 269.32 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 62030728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).