2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine

C13H20F3NSi — CID 67402200

IUPAC2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine
SMILESC[Si](C)(C)CNCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H20F3NSi/c1-18(2,3)10-17-8-7-11-5-4-6-12(9-11)13(14,15)16/h4-6,9,17H,7-8,10H2,1-3H3
InChIKeyZDSUNLWFGVSTKN-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.71
Rot. Bonds5

About 2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine

2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine (PubChem CID 67402200) has the molecular formula C13H20F3NSi and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine
PubChem CID67402200
Molecular FormulaC13H20F3NSi
Molecular Weight275.39 g/mol
Exact Mass275.13
IUPAC Name2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine
SMILESC[Si](C)(C)CNCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H20F3NSi/c1-18(2,3)10-17-8-7-11-5-4-6-12(9-11)13(14,15)16/h4-6,9,17H,7-8,10H2,1-3H3
InChIKeyZDSUNLWFGVSTKN-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60647921
N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 5156375
N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 69346752
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 68700218
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
3-[2-[3-(trifluoromethyl)phenyl]ethylamino]propane-1-sulfonic acid
CID 87844997
1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
CID 166246765
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55134831
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
CID 174932519

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine (CID 67402200) is 2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine is C[Si](C)(C)CNCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine?
The InChIKey is ZDSUNLWFGVSTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NSi/c1-18(2,3)10-17-8-7-11-5-4-6-12(9-11)13(14,15)16/h4-6,9,17H,7-8,10H2,1-3H3.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine?
2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine is sourced from PubChem (CID 67402200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).