2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine

C17H35NO2Si3 — CID 522303

IUPAC2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine
SMILESC[Si](C)(C)NCCc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C17H35NO2Si3/c1-21(2,3)18-13-12-15-10-11-16(19-22(4,5)6)17(14-15)20-23(7,8)9/h10-11,14,18H,12-13H2,1-9H3
InChIKeyIDQRGLQSFWNZMQ-UHFFFAOYSA-N
MW369.73 g/mol
LogP5.08
Rot. Bonds8

About 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine

2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine (PubChem CID 522303) has the molecular formula C17H35NO2Si3 and a molecular weight of 369.73 g/mol. Its IUPAC name is 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine.

Molecular Properties

Compound Name2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine
PubChem CID522303
Molecular FormulaC17H35NO2Si3
Molecular Weight369.73 g/mol
Exact Mass369.20
IUPAC Name2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine
SMILESC[Si](C)(C)NCCc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C17H35NO2Si3/c1-21(2,3)18-13-12-15-10-11-16(19-22(4,5)6)17(14-15)20-23(7,8)9/h10-11,14,18H,12-13H2,1-9H3
InChIKeyIDQRGLQSFWNZMQ-UHFFFAOYSA-N
XLogP5.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.73
LogP ≤ 55.08
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

N-(2-(3,4-Dimethoxyphenyl)ethyl)-1,1,1-trimethylsilanamine
CID 215314
Silanamine, 1,1,1-trimethyl-N-[2-[4-[(trimethylsilyl)oxy]phenyl]ethyl]-
CID 521557
N-(Trifluoroacetyl)-O,O'-bis(trimethylsilyl) dopamine
CID 553666
Phenylethanolamine triTMS
CID 599838
3,4-Dimethoxyphenethylamine, 2TMS derivative
CID 12571851
Dopamine, 3TBDMS derivative
CID 91718588
2-{4-[(Trimethylsilyl)oxy]phenyl}ethan-1-amine
CID 91727353
3,4-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]benzeneethanamine
CID 10883445
N-2-(3',4'-ditriethylsilyloxyphenyl)ethyl methacrylamide
CID 134716501
2-{4-[(Tert-butyldimethylsilyl)oxy]-3-methoxyphenyl}ethan-1-amine
CID 134848602
N-[2-[3,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]ethyl]-2-propenamide
CID 167713619
meta-Fluorotyramine, di-TMS
CID 91750745

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine?
The IUPAC name of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine (CID 522303) is 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine.
What is the SMILES notation for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine?
The canonical SMILES for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine is C[Si](C)(C)NCCc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1.
What is the InChIKey of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine?
The InChIKey is IDQRGLQSFWNZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2Si3/c1-21(2,3)18-13-12-15-10-11-16(19-22(4,5)6)17(14-15)20-23(7,8)9/h10-11,14,18H,12-13H2,1-9H3.
What are the key properties of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine?
2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine has a molecular weight of 369.73 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-trimethylsilylethanamine is sourced from PubChem (CID 522303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).