1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol

C16H23NOSSi — CID 106435058

IUPAC1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
SMILESC[Si](C)(C)c1ccc(CNCC(O)c2ccsc2)cc1
InChIInChI=1S/C16H23NOSSi/c1-20(2,3)15-6-4-13(5-7-15)10-17-11-16(18)14-8-9-19-12-14/h4-9,12,16-18H,10-11H2,1-3H3
InChIKeyZTBFAXVATZXKHD-UHFFFAOYSA-N
MW305.52 g/mol
LogP3.12
Rot. Bonds6

About 1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol

1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol (PubChem CID 106435058) has the molecular formula C16H23NOSSi and a molecular weight of 305.52 g/mol. Its IUPAC name is 1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
PubChem CID106435058
Molecular FormulaC16H23NOSSi
Molecular Weight305.52 g/mol
Exact Mass305.13
IUPAC Name1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
SMILESC[Si](C)(C)c1ccc(CNCC(O)c2ccsc2)cc1
InChIInChI=1S/C16H23NOSSi/c1-20(2,3)15-6-4-13(5-7-15)10-17-11-16(18)14-8-9-19-12-14/h4-9,12,16-18H,10-11H2,1-3H3
InChIKeyZTBFAXVATZXKHD-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.52
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767
2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol
CID 102609668
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 111467090
2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437435
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol
CID 106435304
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685342
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434750
thiophen-3-yl-(4-trimethylsilylphenyl)methanol
CID 166444858

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol?
The IUPAC name of 1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol (CID 106435058) is 1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol.
What is the SMILES notation for 1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol?
The canonical SMILES for 1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol is C[Si](C)(C)c1ccc(CNCC(O)c2ccsc2)cc1.
What is the InChIKey of 1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol?
The InChIKey is ZTBFAXVATZXKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOSSi/c1-20(2,3)15-6-4-13(5-7-15)10-17-11-16(18)14-8-9-19-12-14/h4-9,12,16-18H,10-11H2,1-3H3.
What are the key properties of 1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol?
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol has a molecular weight of 305.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol is sourced from PubChem (CID 106435058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).