(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine

C25H33NO2Si — CID 86718373

IUPAC(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine
SMILESCN[C@H](c1ccco1)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H33NO2Si/c1-20(24(26-5)23-17-12-18-27-23)19-28-29(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-18,20,24,26H,19H2,1-5H3/t20-,24-/m0/s1
InChIKeySBGAMWKQMXNUES-RDPSFJRHSA-N
MW407.63 g/mol
LogP4.75
Rot. Bonds8

About (1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine

(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine (PubChem CID 86718373) has the molecular formula C25H33NO2Si and a molecular weight of 407.63 g/mol. Its IUPAC name is (1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine
PubChem CID86718373
Molecular FormulaC25H33NO2Si
Molecular Weight407.63 g/mol
Exact Mass407.23
IUPAC Name(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine
SMILESCN[C@H](c1ccco1)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H33NO2Si/c1-20(24(26-5)23-17-12-18-27-23)19-28-29(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-18,20,24,26H,19H2,1-5H3/t20-,24-/m0/s1
InChIKeySBGAMWKQMXNUES-RDPSFJRHSA-N
XLogP4.75
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.63
LogP ≤ 54.75
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

(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 23248208
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
CID 162404498
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of (1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine (CID 86718373) is (1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for (1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for (1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine is CN[C@H](c1ccco1)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is SBGAMWKQMXNUES-RDPSFJRHSA-N. The full InChI is InChI=1S/C25H33NO2Si/c1-20(24(26-5)23-17-12-18-27-23)19-28-29(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-18,20,24,26H,19H2,1-5H3/t20-,24-/m0/s1.
What are the key properties of (1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine?
(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 407.63 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 86718373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).