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

C16H21NOS — CID 65189371

IUPAC3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
SMILESCC(C)c1ccc(C(CN)C(O)c2cccs2)cc1
InChIInChI=1S/C16H21NOS/c1-11(2)12-5-7-13(8-6-12)14(10-17)16(18)15-4-3-9-19-15/h3-9,11,14,16,18H,10,17H2,1-2H3
InChIKeyHRYVZZRYKNBOFW-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.65
Rot. Bonds5

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

3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol (PubChem CID 65189371) 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-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
PubChem CID65189371
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
SMILESCC(C)c1ccc(C(CN)C(O)c2cccs2)cc1
InChIInChI=1S/C16H21NOS/c1-11(2)12-5-7-13(8-6-12)14(10-17)16(18)15-4-3-9-19-15/h3-9,11,14,16,18H,10,17H2,1-2H3
InChIKeyHRYVZZRYKNBOFW-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-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
CID 80525921
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CID 65189679
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189562
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol
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CID 65190352
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060
1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol
CID 65190040

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol (CID 65189371) is 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol is CC(C)c1ccc(C(CN)C(O)c2cccs2)cc1.
What is the InChIKey of 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is HRYVZZRYKNBOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11(2)12-5-7-13(8-6-12)14(10-17)16(18)15-4-3-9-19-15/h3-9,11,14,16,18H,10,17H2,1-2H3.
What are the key properties of 3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol?
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-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-2-ylpropan-1-ol is sourced from PubChem (CID 65189371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).