1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol

C14H25NO2S — CID 110882281

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCC(c1cccs1)N(C)CC(O)COC(C)(C)C
InChIInChI=1S/C14H25NO2S/c1-11(13-7-6-8-18-13)15(5)9-12(16)10-17-14(2,3)4/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeySDDGGBRECIJHCR-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.92
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol (PubChem CID 110882281) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
PubChem CID110882281
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCC(c1cccs1)N(C)CC(O)COC(C)(C)C
InChIInChI=1S/C14H25NO2S/c1-11(13-7-6-8-18-13)15(5)9-12(16)10-17-14(2,3)4/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeySDDGGBRECIJHCR-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol with MolForge

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Related Compounds

1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317503
2-[(2S)-2-hydroxy-3-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]propyl]isoindole-1,3-dione
CID 94782974
1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol
CID 110897675
[2-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethyl]hydrazine
CID 105287645
N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366231
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 62478000
3-[methyl(1-thiophen-2-ylethyl)amino]-2-phenylpropanoic acid
CID 63068999
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 94489097
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257313

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol (CID 110882281) is 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol is CC(c1cccs1)N(C)CC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
The InChIKey is SDDGGBRECIJHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-11(13-7-6-8-18-13)15(5)9-12(16)10-17-14(2,3)4/h6-8,11-12,16H,9-10H2,1-5H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol has a molecular weight of 271.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 110882281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).