1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol

C12H21NO2S — CID 3918563

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol
SMILESCC(C)(C)OCC(O)CNCc1cccs1
InChIInChI=1S/C12H21NO2S/c1-12(2,3)15-9-10(14)7-13-8-11-5-4-6-16-11/h4-6,10,13-14H,7-9H2,1-3H3
InChIKeyFLOCHDHJXGINOB-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.01
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol (PubChem CID 3918563) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol
PubChem CID3918563
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol
SMILESCC(C)(C)OCC(O)CNCc1cccs1
InChIInChI=1S/C12H21NO2S/c1-12(2,3)15-9-10(14)7-13-8-11-5-4-6-16-11/h4-6,10,13-14H,7-9H2,1-3H3
InChIKeyFLOCHDHJXGINOB-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol (CID 3918563) is 1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol is CC(C)(C)OCC(O)CNCc1cccs1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol?
The InChIKey is FLOCHDHJXGINOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-12(2,3)15-9-10(14)7-13-8-11-5-4-6-16-11/h4-6,10,13-14H,7-9H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol has a molecular weight of 243.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(thiophen-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 3918563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).