1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol

C14H25NO4 — CID 106989546

IUPAC1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
SMILESCOCC(C)OCC(O)CNC(C)c1ccc(C)o1
InChIInChI=1S/C14H25NO4/c1-10-5-6-14(19-10)12(3)15-7-13(16)9-18-11(2)8-17-4/h5-6,11-13,15-16H,7-9H2,1-4H3
InChIKeyIQPIATRBQHYKDS-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.65
Rot. Bonds9

About 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol (PubChem CID 106989546) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
PubChem CID106989546
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
SMILESCOCC(C)OCC(O)CNC(C)c1ccc(C)o1
InChIInChI=1S/C14H25NO4/c1-10-5-6-14(19-10)12(3)15-7-13(16)9-18-11(2)8-17-4/h5-6,11-13,15-16H,7-9H2,1-4H3
InChIKeyIQPIATRBQHYKDS-UHFFFAOYSA-N
XLogP1.65
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 106989853
4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol
CID 115714813
1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 106989621
1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol
CID 104653027
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108
2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 60815401
1-[1-(5-methylfuran-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 54917373
1-[1-(5-methylfuran-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61040225
1-cyclopentyl-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103157408
1-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propan-2-ol
CID 104579718
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol
CID 106989919

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol (CID 106989546) is 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol is COCC(C)OCC(O)CNC(C)c1ccc(C)o1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol?
The InChIKey is IQPIATRBQHYKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10-5-6-14(19-10)12(3)15-7-13(16)9-18-11(2)8-17-4/h5-6,11-13,15-16H,7-9H2,1-4H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106989546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).