2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane

C22H31NOSi — CID 141460605

IUPAC2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C22H31NOSi/c1-25(2,3)18-17-24-22(21-15-10-16-23-21,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21,23H,10,15-18H2,1-3H3/t21-/m0/s1
InChIKeySQDNOYMFLWYMBG-NRFANRHFSA-N
MW353.58 g/mol
LogP5.04
Rot. Bonds7

About 2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane

2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 141460605) has the molecular formula C22H31NOSi and a molecular weight of 353.58 g/mol. Its IUPAC name is 2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID141460605
Molecular FormulaC22H31NOSi
Molecular Weight353.58 g/mol
Exact Mass353.22
IUPAC Name2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C22H31NOSi/c1-25(2,3)18-17-24-22(21-15-10-16-23-21,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21,23H,10,15-18H2,1-3H3/t21-/m0/s1
InChIKeySQDNOYMFLWYMBG-NRFANRHFSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.58
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[diphenyl-[(2S)-pyrrolidin-2-yl]methyl] dimethyl borate
CID 71068491
CID 136798627
CID 136798627
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
CID 138393439
(2R)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-1-phenylethyl]pyrrolidine
CID 147642184
[diphenyl-[(2S)-pyrrolidin-2-yl]methyl]-methyl-diphenylsilane
CID 177493486
1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 68769138
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
2-(2-methyl-1-phenylpropan-2-yl)pyrrolidine
CID 83908576
1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 155010547
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 138485227
[dinaphthalen-1-yl(pyrrolidin-2-yl)methoxy]-trimethylsilane
CID 69476600

Frequently Asked Questions

What is the IUPAC name of 2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane (CID 141460605) is 2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of 2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is SQDNOYMFLWYMBG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H31NOSi/c1-25(2,3)18-17-24-22(21-15-10-16-23-21,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21,23H,10,15-18H2,1-3H3/t21-/m0/s1.
What are the key properties of 2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane?
2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 353.58 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 141460605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).