1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine

C13H21NO2S — CID 55020930

IUPAC1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine
SMILESCC(N)C(OCC1CCCCO1)c1cccs1
InChIInChI=1S/C13H21NO2S/c1-10(14)13(12-6-4-8-17-12)16-9-11-5-2-3-7-15-11/h4,6,8,10-11,13H,2-3,5,7,9,14H2,1H3
InChIKeySEXKSVFBJMRRIH-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.72
Rot. Bonds5

About 1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine

1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine (PubChem CID 55020930) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine
PubChem CID55020930
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine
SMILESCC(N)C(OCC1CCCCO1)c1cccs1
InChIInChI=1S/C13H21NO2S/c1-10(14)13(12-6-4-8-17-12)16-9-11-5-2-3-7-15-11/h4,6,8,10-11,13H,2-3,5,7,9,14H2,1H3
InChIKeySEXKSVFBJMRRIH-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine (CID 55020930) is 1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine is CC(N)C(OCC1CCCCO1)c1cccs1.
What is the InChIKey of 1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is SEXKSVFBJMRRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10(14)13(12-6-4-8-17-12)16-9-11-5-2-3-7-15-11/h4,6,8,10-11,13H,2-3,5,7,9,14H2,1H3.
What are the key properties of 1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine?
1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethoxy)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 55020930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).