3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol

C15H25NO2Si — CID 106100480

IUPAC3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
SMILESC[Si](C)(C)c1ccc(CNCC2(O)CCOC2)cc1
InChIInChI=1S/C15H25NO2Si/c1-19(2,3)14-6-4-13(5-7-14)10-16-11-15(17)8-9-18-12-15/h4-7,16-17H,8-12H2,1-3H3
InChIKeyNTYYZDALAXFGGF-UHFFFAOYSA-N
MW279.46 g/mol
LogP1.47
Rot. Bonds5

About 3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol

3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol (PubChem CID 106100480) has the molecular formula C15H25NO2Si and a molecular weight of 279.46 g/mol. Its IUPAC name is 3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
PubChem CID106100480
Molecular FormulaC15H25NO2Si
Molecular Weight279.46 g/mol
Exact Mass279.17
IUPAC Name3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
SMILESC[Si](C)(C)c1ccc(CNCC2(O)CCOC2)cc1
InChIInChI=1S/C15H25NO2Si/c1-19(2,3)14-6-4-13(5-7-14)10-16-11-15(17)8-9-18-12-15/h4-7,16-17H,8-12H2,1-3H3
InChIKeyNTYYZDALAXFGGF-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 51.47
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

1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848427
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
CID 79032435
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848358

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol (CID 106100480) is 3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol is C[Si](C)(C)c1ccc(CNCC2(O)CCOC2)cc1.
What is the InChIKey of 3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is NTYYZDALAXFGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2Si/c1-19(2,3)14-6-4-13(5-7-14)10-16-11-15(17)8-9-18-12-15/h4-7,16-17H,8-12H2,1-3H3.
What are the key properties of 3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol?
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 279.46 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).