3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine

C31H39FN2OSi — CID 140830259

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine
SMILESC[C@H](Cn1ccc2ccccc21)NCC(C)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H39FN2OSi/c1-25(22-34-21-20-26-14-12-13-19-29(26)34)33-23-31(5,32)24-35-36(30(2,3)4,27-15-8-6-9-16-27)28-17-10-7-11-18-28/h6-21,25,33H,22-24H2,1-5H3/t25-,31?/m1/s1
InChIKeyXXZNHDHEKFJXKW-KZQYXEPFSA-N
MW502.75 g/mol
LogP5.92
Rot. Bonds10

About 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine

3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine (PubChem CID 140830259) has the molecular formula C31H39FN2OSi and a molecular weight of 502.75 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine
PubChem CID140830259
Molecular FormulaC31H39FN2OSi
Molecular Weight502.75 g/mol
Exact Mass502.28
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine
SMILESC[C@H](Cn1ccc2ccccc21)NCC(C)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H39FN2OSi/c1-25(22-34-21-20-26-14-12-13-19-29(26)34)33-23-31(5,32)24-35-36(30(2,3)4,27-15-8-6-9-16-27)28-17-10-7-11-18-28/h6-21,25,33H,22-24H2,1-5H3/t25-,31?/m1/s1
InChIKeyXXZNHDHEKFJXKW-KZQYXEPFSA-N
XLogP5.92
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.75
LogP ≤ 55.92
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)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine
CID 172785843
3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol
CID 156894869
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2S)-3-indol-1-yl-2-methylpropan-1-ol
CID 139469635
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine
CID 62534294
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine (CID 140830259) is 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine is C[C@H](Cn1ccc2ccccc21)NCC(C)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine?
The InChIKey is XXZNHDHEKFJXKW-KZQYXEPFSA-N. The full InChI is InChI=1S/C31H39FN2OSi/c1-25(22-34-21-20-26-14-12-13-19-29(26)34)33-23-31(5,32)24-35-36(30(2,3)4,27-15-8-6-9-16-27)28-17-10-7-11-18-28/h6-21,25,33H,22-24H2,1-5H3/t25-,31?/m1/s1.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine?
3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine has a molecular weight of 502.75 g/mol, XLogP of 5.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 140830259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).