2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine

C21H29NO2Si — CID 169182431

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine
SMILESCC(C)(C)[Si](OCC(N)C1COC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-20(22)17-14-23-15-17/h4-13,17,20H,14-16,22H2,1-3H3
InChIKeyHOOUJVMZVJBZQZ-UHFFFAOYSA-N
MW355.55 g/mol
LogP2.54
Rot. Bonds6

About 2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine

2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine (PubChem CID 169182431) has the molecular formula C21H29NO2Si and a molecular weight of 355.55 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine
PubChem CID169182431
Molecular FormulaC21H29NO2Si
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine
SMILESCC(C)(C)[Si](OCC(N)C1COC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-20(22)17-14-23-15-17/h4-13,17,20H,14-16,22H2,1-3H3
InChIKeyHOOUJVMZVJBZQZ-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-[[(3R,4R)-4-methoxyoxolan-3-yl]methoxy]-diphenylsilane
CID 67077747
1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile
CID 169182525
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
CID 102228442
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine (CID 169182431) is 2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine is CC(C)(C)[Si](OCC(N)C1COC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine?
The InChIKey is HOOUJVMZVJBZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-20(22)17-14-23-15-17/h4-13,17,20H,14-16,22H2,1-3H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine?
2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine has a molecular weight of 355.55 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine is sourced from PubChem (CID 169182431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).