N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine

C27H35NOSi — CID 10811915

IUPACN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine
SMILESCC(C)(NCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C27H35NOSi/c1-26(2,3)30(24-17-11-7-12-18-24,25-19-13-8-14-20-25)29-22-21-28-27(4,5)23-15-9-6-10-16-23/h6-20,28H,21-22H2,1-5H3
InChIKeyNFIFUBPWJUTXNV-UHFFFAOYSA-N
MW417.67 g/mol
LogP5.09
Rot. Bonds8

About N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine

N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine (PubChem CID 10811915) has the molecular formula C27H35NOSi and a molecular weight of 417.67 g/mol. Its IUPAC name is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine
PubChem CID10811915
Molecular FormulaC27H35NOSi
Molecular Weight417.67 g/mol
Exact Mass417.25
IUPAC NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine
SMILESCC(C)(NCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C27H35NOSi/c1-26(2,3)30(24-17-11-7-12-18-24,25-19-13-8-14-20-25)29-22-21-28-27(4,5)23-15-9-6-10-16-23/h6-20,28H,21-22H2,1-5H3
InChIKeyNFIFUBPWJUTXNV-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.67
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine?
The IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine (CID 10811915) is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine.
What is the SMILES notation for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine?
The canonical SMILES for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine is CC(C)(NCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine?
The InChIKey is NFIFUBPWJUTXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NOSi/c1-26(2,3)30(24-17-11-7-12-18-24,25-19-13-8-14-20-25)29-22-21-28-27(4,5)23-15-9-6-10-16-23/h6-20,28H,21-22H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine?
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine has a molecular weight of 417.67 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine is sourced from PubChem (CID 10811915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).