3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol

C16H21NOS — CID 65189562

IUPAC3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
SMILESCC(C)c1ccc(C(CN)C(O)c2ccsc2)cc1
InChIInChI=1S/C16H21NOS/c1-11(2)12-3-5-13(6-4-12)15(9-17)16(18)14-7-8-19-10-14/h3-8,10-11,15-16,18H,9,17H2,1-2H3
InChIKeyXYCUJLBCMSVXRH-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.65
Rot. Bonds5

About 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol

3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol (PubChem CID 65189562) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
PubChem CID65189562
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
SMILESCC(C)c1ccc(C(CN)C(O)c2ccsc2)cc1
InChIInChI=1S/C16H21NOS/c1-11(2)12-3-5-13(6-4-12)15(9-17)16(18)14-7-8-19-10-14/h3-8,10-11,15-16,18H,9,17H2,1-2H3
InChIKeyXYCUJLBCMSVXRH-UHFFFAOYSA-N
XLogP3.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
2,4-diamino-1-thiophen-3-ylbutan-1-ol
CID 83927672
3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
CID 171857359
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
CID 134419988
3-amino-1-(2-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189896
[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol
CID 61087925
1-amino-2-(4-propan-2-ylphenyl)decan-3-ol
CID 65189275
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol (CID 65189562) is 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol is CC(C)c1ccc(C(CN)C(O)c2ccsc2)cc1.
What is the InChIKey of 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol?
The InChIKey is XYCUJLBCMSVXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11(2)12-3-5-13(6-4-12)15(9-17)16(18)14-7-8-19-10-14/h3-8,10-11,15-16,18H,9,17H2,1-2H3.
What are the key properties of 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol?
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol has a molecular weight of 275.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 65189562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).