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

C14H25NO3S — CID 106989621

IUPAC1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
SMILESCOCC(C)OCC(O)CNC(C)c1ccc(C)s1
InChIInChI=1S/C14H25NO3S/c1-10(8-17-4)18-9-13(16)7-15-12(3)14-6-5-11(2)19-14/h5-6,10,12-13,15-16H,7-9H2,1-4H3
InChIKeyDZKFYPMBCZWJHY-UHFFFAOYSA-N
MW287.42 g/mol
LogP2.12
Rot. Bonds9

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

1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol (PubChem CID 106989621) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
PubChem CID106989621
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
SMILESCOCC(C)OCC(O)CNC(C)c1ccc(C)s1
InChIInChI=1S/C14H25NO3S/c1-10(8-17-4)18-9-13(16)7-15-12(3)14-6-5-11(2)19-14/h5-6,10,12-13,15-16H,7-9H2,1-4H3
InChIKeyDZKFYPMBCZWJHY-UHFFFAOYSA-N
XLogP2.12
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-butoxyethoxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 61474085
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 106989546
1-(4-chlorophenoxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 61474000
1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 54952800
2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 79547244
1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61473596
2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54954410
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115895530
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 83141831

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol (CID 106989621) is 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol is COCC(C)OCC(O)CNC(C)c1ccc(C)s1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
The InChIKey is DZKFYPMBCZWJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-10(8-17-4)18-9-13(16)7-15-12(3)14-6-5-11(2)19-14/h5-6,10,12-13,15-16H,7-9H2,1-4H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol has a molecular weight of 287.42 g/mol, XLogP of 2.12, 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-methylthiophen-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106989621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).