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

C13H23NO4 — CID 106989853

IUPAC1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
SMILESCOCC(C)OCC(O)CNCc1ccc(C)o1
InChIInChI=1S/C13H23NO4/c1-10-4-5-13(18-10)7-14-6-12(15)9-17-11(2)8-16-3/h4-5,11-12,14-15H,6-9H2,1-3H3
InChIKeyUSSWVXBYBNVMPR-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.09
Rot. Bonds9

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

1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol (PubChem CID 106989853) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
PubChem CID106989853
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
SMILESCOCC(C)OCC(O)CNCc1ccc(C)o1
InChIInChI=1S/C13H23NO4/c1-10-4-5-13(18-10)7-14-6-12(15)9-17-11(2)8-16-3/h4-5,11-12,14-15H,6-9H2,1-3H3
InChIKeyUSSWVXBYBNVMPR-UHFFFAOYSA-N
XLogP1.09
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 106989546
1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 106989341
1-(4-chloro-3-methylphenoxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 62523170
1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989494
4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
CID 62523205
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357
1-(1-methoxypropan-2-yloxy)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 106989577
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990390
1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989374
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
CID 110019088

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol (CID 106989853) is 1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol is COCC(C)OCC(O)CNCc1ccc(C)o1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol?
The InChIKey is USSWVXBYBNVMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10-4-5-13(18-10)7-14-6-12(15)9-17-11(2)8-16-3/h4-5,11-12,14-15H,6-9H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 1.09, 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-[(5-methylfuran-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106989853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).