1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol

C18H25NO2S — CID 13096685

IUPAC1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(C)(C)Cc1cccs1
InChIInChI=1S/C18H25NO2S/c1-14-7-4-5-9-17(14)21-13-15(20)12-19-18(2,3)11-16-8-6-10-22-16/h4-10,15,19-20H,11-13H2,1-3H3
InChIKeyGVFALUKIIWFLCF-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.41
Rot. Bonds8

About 1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol

1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 13096685) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
PubChem CID13096685
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(C)(C)Cc1cccs1
InChIInChI=1S/C18H25NO2S/c1-14-7-4-5-9-17(14)21-13-15(20)12-19-18(2,3)11-16-8-6-10-22-16/h4-10,15,19-20H,11-13H2,1-3H3
InChIKeyGVFALUKIIWFLCF-UHFFFAOYSA-N
XLogP3.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714693
1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 13457967
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
(2S)-1-[benzyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164463
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
2-(2-methylphenoxy)-1-thiophen-2-ylethanol
CID 117240007
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
CID 83014174
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol (CID 13096685) is 1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol is Cc1ccccc1OCC(O)CNC(C)(C)Cc1cccs1.
What is the InChIKey of 1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
The InChIKey is GVFALUKIIWFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-14-7-4-5-9-17(14)21-13-15(20)12-19-18(2,3)11-16-8-6-10-22-16/h4-10,15,19-20H,11-13H2,1-3H3.
What are the key properties of 1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 319.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 13096685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).