N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine

C21H28F3NOSi — CID 155890138

IUPACN-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCC(NC(CO[Si](C)(C)C)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H28F3NOSi/c1-5-19(17-11-13-18(14-12-17)21(22,23)24)25-20(15-26-27(2,3)4)16-9-7-6-8-10-16/h6-14,19-20,25H,5,15H2,1-4H3
InChIKeyFICKARSDEJFVPY-UHFFFAOYSA-N
MW395.54 g/mol
LogP6.34
Rot. Bonds8

About N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine

N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 155890138) has the molecular formula C21H28F3NOSi and a molecular weight of 395.54 g/mol. Its IUPAC name is N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID155890138
Molecular FormulaC21H28F3NOSi
Molecular Weight395.54 g/mol
Exact Mass395.19
IUPAC NameN-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCC(NC(CO[Si](C)(C)C)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H28F3NOSi/c1-5-19(17-11-13-18(14-12-17)21(22,23)24)25-20(15-26-27(2,3)4)16-9-7-6-8-10-16/h6-14,19-20,25H,5,15H2,1-4H3
InChIKeyFICKARSDEJFVPY-UHFFFAOYSA-N
XLogP6.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.54
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1R)-1-phenyl-2-trimethylsilyloxyethyl]propan-1-amine
CID 70803793
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871
[2-propoxy-1-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105210159
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
2-methylidene-4-oxo-4-[[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]amino]butanoic acid
CID 166098884
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
N-ethyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62790871

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 155890138) is N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine is CCC(NC(CO[Si](C)(C)C)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is FICKARSDEJFVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3NOSi/c1-5-19(17-11-13-18(14-12-17)21(22,23)24)25-20(15-26-27(2,3)4)16-9-7-6-8-10-16/h6-14,19-20,25H,5,15H2,1-4H3.
What are the key properties of N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 395.54 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-2-trimethylsilyloxyethyl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 155890138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).