N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine

C21H28F3NO2Si — CID 10811578

IUPACN,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine
SMILESCOC(CN(Cc1ccccc1)Cc1ccccc1)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C21H28F3NO2Si/c1-26-20(21(22,23)24,27-28(2,3)4)17-25(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14H,15-17H2,1-4H3
InChIKeyPRYHYNKCNQVOMJ-UHFFFAOYSA-N
MW411.54 g/mol
LogP5.45
Rot. Bonds9

About N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine

N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine (PubChem CID 10811578) has the molecular formula C21H28F3NO2Si and a molecular weight of 411.54 g/mol. Its IUPAC name is N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine
PubChem CID10811578
Molecular FormulaC21H28F3NO2Si
Molecular Weight411.54 g/mol
Exact Mass411.18
IUPAC NameN,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine
SMILESCOC(CN(Cc1ccccc1)Cc1ccccc1)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C21H28F3NO2Si/c1-26-20(21(22,23)24,27-28(2,3)4)17-25(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14H,15-17H2,1-4H3
InChIKeyPRYHYNKCNQVOMJ-UHFFFAOYSA-N
XLogP5.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine?
The IUPAC name of N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine (CID 10811578) is N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine.
What is the SMILES notation for N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine?
The canonical SMILES for N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine is COC(CN(Cc1ccccc1)Cc1ccccc1)(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine?
The InChIKey is PRYHYNKCNQVOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3NO2Si/c1-26-20(21(22,23)24,27-28(2,3)4)17-25(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14H,15-17H2,1-4H3.
What are the key properties of N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine?
N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine has a molecular weight of 411.54 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3,3,3-trifluoro-2-methoxy-2-trimethylsilyloxypropan-1-amine is sourced from PubChem (CID 10811578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).