1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol

C15H27NO2S — CID 112726263

IUPAC1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1ccsc1CNCC(O)COC(C)CC(C)C
InChIInChI=1S/C15H27NO2S/c1-11(2)7-13(4)18-10-14(17)8-16-9-15-12(3)5-6-19-15/h5-6,11,13-14,16-17H,7-10H2,1-4H3
InChIKeyLOWAWQNMNHXVSK-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.96
Rot. Bonds9

About 1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol

1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol (PubChem CID 112726263) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
PubChem CID112726263
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1ccsc1CNCC(O)COC(C)CC(C)C
InChIInChI=1S/C15H27NO2S/c1-11(2)7-13(4)18-10-14(17)8-16-9-15-12(3)5-6-19-15/h5-6,11,13-14,16-17H,7-10H2,1-4H3
InChIKeyLOWAWQNMNHXVSK-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpentan-2-yloxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60970362
1-(2-ethylhexoxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
CID 112726283
3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904562
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
CID 112726289
1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60899933
1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349844
1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol
CID 106399294
1-(3,3-dimethylbutylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 115581046
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62990076
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide
CID 54938438

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol (CID 112726263) is 1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol is Cc1ccsc1CNCC(O)COC(C)CC(C)C.
What is the InChIKey of 1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is LOWAWQNMNHXVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-11(2)7-13(4)18-10-14(17)8-16-9-15-12(3)5-6-19-15/h5-6,11,13-14,16-17H,7-10H2,1-4H3.
What are the key properties of 1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol?
1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol has a molecular weight of 285.45 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 112726263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).