1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol

C10H16BrNO3 — CID 104653027

IUPAC1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)c1ccc(Br)o1
InChIInChI=1S/C10H16BrNO3/c1-7(9-3-4-10(11)15-9)12-5-8(13)6-14-2/h3-4,7-8,12-13H,5-6H2,1-2H3
InChIKeyQFGHFKBFVGIYRF-UHFFFAOYSA-N
MW278.15 g/mol
LogP1.70
Rot. Bonds6

About 1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol

1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol (PubChem CID 104653027) has the molecular formula C10H16BrNO3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol
PubChem CID104653027
Molecular FormulaC10H16BrNO3
Molecular Weight278.15 g/mol
Exact Mass277.03
IUPAC Name1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)c1ccc(Br)o1
InChIInChI=1S/C10H16BrNO3/c1-7(9-3-4-10(11)15-9)12-5-8(13)6-14-2/h3-4,7-8,12-13H,5-6H2,1-2H3
InChIKeyQFGHFKBFVGIYRF-UHFFFAOYSA-N
XLogP1.70
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 107093913
1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol
CID 107093693
1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 106989546
1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81381420
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369
1-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propan-2-ol
CID 104579718
1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114465820
N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 107094355
N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972
4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol
CID 114331426

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol (CID 104653027) is 1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol is COCC(O)CNC(C)c1ccc(Br)o1.
What is the InChIKey of 1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol?
The InChIKey is QFGHFKBFVGIYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3/c1-7(9-3-4-10(11)15-9)12-5-8(13)6-14-2/h3-4,7-8,12-13H,5-6H2,1-2H3.
What are the key properties of 1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol?
1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol has a molecular weight of 278.15 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 104653027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).