(2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol

C21H27NOSi — CID 11739228

IUPAC(2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol
SMILESC=C=C([C@H](N[C@H](CO)c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C21H27NOSi/c1-5-20(24(2,3)4)21(18-14-10-7-11-15-18)22-19(16-23)17-12-8-6-9-13-17/h6-15,19,21-23H,1,16H2,2-4H3/t19-,21-/m1/s1
InChIKeyJUQCASLJZTXAOG-TZIWHRDSSA-N
MW337.54 g/mol
LogP4.64
Rot. Bonds7

About (2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol

(2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol (PubChem CID 11739228) has the molecular formula C21H27NOSi and a molecular weight of 337.54 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol
PubChem CID11739228
Molecular FormulaC21H27NOSi
Molecular Weight337.54 g/mol
Exact Mass337.19
IUPAC Name(2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol
SMILESC=C=C([C@H](N[C@H](CO)c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C21H27NOSi/c1-5-20(24(2,3)4)21(18-14-10-7-11-15-18)22-19(16-23)17-12-8-6-9-13-17/h6-15,19,21-23H,1,16H2,2-4H3/t19-,21-/m1/s1
InChIKeyJUQCASLJZTXAOG-TZIWHRDSSA-N
XLogP4.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-trimethylsilylbuta-2,3-dien-1-ol
CID 12653266
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
CID 103788766
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
CID 76810844
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol
CID 102006794
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol
CID 107862495
4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
CID 107862309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol (CID 11739228) is (2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol is C=C=C([C@H](N[C@H](CO)c1ccccc1)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol?
The InChIKey is JUQCASLJZTXAOG-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H27NOSi/c1-5-20(24(2,3)4)21(18-14-10-7-11-15-18)22-19(16-23)17-12-8-6-9-13-17/h6-15,19,21-23H,1,16H2,2-4H3/t19-,21-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol?
(2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol has a molecular weight of 337.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol is sourced from PubChem (CID 11739228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).