N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine

C19H21F6NSi — CID 86216991

IUPACN-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine
SMILESCCCCN[Si](C)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F6NSi/c1-3-4-13-26-27(2,16-9-5-14(6-10-16)18(20,21)22)17-11-7-15(8-12-17)19(23,24)25/h5-12,26H,3-4,13H2,1-2H3
InChIKeyVKSXAOALSJFACN-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.80
Rot. Bonds6

About N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine

N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine (PubChem CID 86216991) has the molecular formula C19H21F6NSi and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine.

Molecular Properties

Compound NameN-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine
PubChem CID86216991
Molecular FormulaC19H21F6NSi
Molecular Weight405.46 g/mol
Exact Mass405.13
IUPAC NameN-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine
SMILESCCCCN[Si](C)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F6NSi/c1-3-4-13-26-27(2,16-9-5-14(6-10-16)18(20,21)22)17-11-7-15(8-12-17)19(23,24)25/h5-12,26H,3-4,13H2,1-2H3
InChIKeyVKSXAOALSJFACN-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.80
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-decyl-4-(trifluoromethyl)aniline
CID 63488784
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
2-(butylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84816571
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine
CID 86216922
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089

Frequently Asked Questions

What is the IUPAC name of N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine?
The IUPAC name of N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine (CID 86216991) is N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine.
What is the SMILES notation for N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine?
The canonical SMILES for N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine is CCCCN[Si](C)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine?
The InChIKey is VKSXAOALSJFACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F6NSi/c1-3-4-13-26-27(2,16-9-5-14(6-10-16)18(20,21)22)17-11-7-15(8-12-17)19(23,24)25/h5-12,26H,3-4,13H2,1-2H3.
What are the key properties of N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine?
N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine has a molecular weight of 405.46 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]butan-1-amine is sourced from PubChem (CID 86216991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).