N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine

C14H22F3NOSi — CID 71534067

IUPACN-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine
SMILESCOC(N(Cc1ccccc1)C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C14H22F3NOSi/c1-19-13(14(15,16)17)18(11-20(2,3)4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
InChIKeyCUKBDXACQIOYMR-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.90
Rot. Bonds6

About N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine

N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine (PubChem CID 71534067) has the molecular formula C14H22F3NOSi and a molecular weight of 305.42 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine
PubChem CID71534067
Molecular FormulaC14H22F3NOSi
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC NameN-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine
SMILESCOC(N(Cc1ccccc1)C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C14H22F3NOSi/c1-19-13(14(15,16)17)18(11-20(2,3)4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
InChIKeyCUKBDXACQIOYMR-UHFFFAOYSA-N
XLogP3.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine?
The IUPAC name of N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine (CID 71534067) is N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine is COC(N(Cc1ccccc1)C[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine?
The InChIKey is CUKBDXACQIOYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NOSi/c1-19-13(14(15,16)17)18(11-20(2,3)4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3.
What are the key properties of N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine?
N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine has a molecular weight of 305.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-1-methoxy-N-(trimethylsilylmethyl)ethanamine is sourced from PubChem (CID 71534067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).