N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine

C19H21F6NSi — CID 86216922

IUPACN-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine
SMILESCCN(CC)[Si](C)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F6NSi/c1-4-26(5-2)27(3,16-10-6-14(7-11-16)18(20,21)22)17-12-8-15(9-13-17)19(23,24)25/h6-13H,4-5H2,1-3H3
InChIKeyGHUOOFRZKNIXBN-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.76
Rot. Bonds5

About N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine

N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine (PubChem CID 86216922) has the molecular formula C19H21F6NSi and a molecular weight of 405.46 g/mol. Its IUPAC name is N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine
PubChem CID86216922
Molecular FormulaC19H21F6NSi
Molecular Weight405.46 g/mol
Exact Mass405.13
IUPAC NameN-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine
SMILESCCN(CC)[Si](C)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F6NSi/c1-4-26(5-2)27(3,16-10-6-14(7-11-16)18(20,21)22)17-12-8-15(9-13-17)19(23,24)25/h6-13H,4-5H2,1-3H3
InChIKeyGHUOOFRZKNIXBN-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine?
The IUPAC name of N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine (CID 86216922) is N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine?
The canonical SMILES for N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine is CCN(CC)[Si](C)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine?
The InChIKey is GHUOOFRZKNIXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F6NSi/c1-4-26(5-2)27(3,16-10-6-14(7-11-16)18(20,21)22)17-12-8-15(9-13-17)19(23,24)25/h6-13H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine?
N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine has a molecular weight of 405.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine is sourced from PubChem (CID 86216922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).