(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine

C41H49NO2Si2 — CID 11700207

IUPAC(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine
SMILESCC(C)(C)[Si](OC[C@@H](N)Cc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H49NO2Si2/c1-40(2,3)45(36-19-11-7-12-20-36,37-21-13-8-14-22-37)43-32-34(42)31-33-27-29-35(30-28-33)44-46(41(4,5)6,38-23-15-9-16-24-38)39-25-17-10-18-26-39/h7-30,34H,31-32,42H2,1-6H3/t34-/m0/s1
InChIKeyBIXDNZRQLBTXSG-UMSFTDKQSA-N
MW644.02 g/mol
LogP7.07
Rot. Bonds11

About (2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine

(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine (PubChem CID 11700207) has the molecular formula C41H49NO2Si2 and a molecular weight of 644.02 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine
PubChem CID11700207
Molecular FormulaC41H49NO2Si2
Molecular Weight644.02 g/mol
Exact Mass643.33
IUPAC Name(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine
SMILESCC(C)(C)[Si](OC[C@@H](N)Cc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H49NO2Si2/c1-40(2,3)45(36-19-11-7-12-20-36,37-21-13-8-14-22-37)43-32-34(42)31-33-27-29-35(30-28-33)44-46(41(4,5)6,38-23-15-9-16-24-38)39-25-17-10-18-26-39/h7-30,34H,31-32,42H2,1-6H3/t34-/m0/s1
InChIKeyBIXDNZRQLBTXSG-UMSFTDKQSA-N
XLogP7.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.02
LogP ≤ 57.07
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

4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol
CID 72711968
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
1-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]ethanamine
CID 68688965
tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
CID 134925581
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal
CID 156904158
2-[4-[tert-butyl(diphenyl)silyl]oxyphenoxy]ethanol
CID 10916195
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine?
The IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine (CID 11700207) is (2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine.
What is the SMILES notation for (2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine?
The canonical SMILES for (2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine is CC(C)(C)[Si](OC[C@@H](N)Cc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine?
The InChIKey is BIXDNZRQLBTXSG-UMSFTDKQSA-N. The full InChI is InChI=1S/C41H49NO2Si2/c1-40(2,3)45(36-19-11-7-12-20-36,37-21-13-8-14-22-37)43-32-34(42)31-33-27-29-35(30-28-33)44-46(41(4,5)6,38-23-15-9-16-24-38)39-25-17-10-18-26-39/h7-30,34H,31-32,42H2,1-6H3/t34-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine?
(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine has a molecular weight of 644.02 g/mol, XLogP of 7.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine is sourced from PubChem (CID 11700207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).