4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline

C16H26ClF3N2OSi — CID 6421397

IUPAC4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline
SMILESCC(C)(C)NCC(O[Si](C)(C)C)c1cc(Cl)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C16H26ClF3N2OSi/c1-15(2,3)22-9-13(23-24(4,5)6)10-7-11(16(18,19)20)14(21)12(17)8-10/h7-8,13,22H,9,21H2,1-6H3
InChIKeyIIARFPXXZWKMQO-UHFFFAOYSA-N
MW382.93 g/mol
LogP5.22
Rot. Bonds5

About 4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline

4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline (PubChem CID 6421397) has the molecular formula C16H26ClF3N2OSi and a molecular weight of 382.93 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline
PubChem CID6421397
Molecular FormulaC16H26ClF3N2OSi
Molecular Weight382.93 g/mol
Exact Mass382.15
IUPAC Name4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline
SMILESCC(C)(C)NCC(O[Si](C)(C)C)c1cc(Cl)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C16H26ClF3N2OSi/c1-15(2,3)22-9-13(23-24(4,5)6)10-7-11(16(18,19)20)14(21)12(17)8-10/h7-8,13,22H,9,21H2,1-6H3
InChIKeyIIARFPXXZWKMQO-UHFFFAOYSA-N
XLogP5.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.93
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mabuterol
CID 3995
Mabuterol Hydrochloride
CID 6917754
2-(4-Amino-3-chloro-5-trifluoromethylphenyl)-2-tert-butylaminoethanol
CID 9997789
4-Amino-3-chloro-alpha-[[[5-(2-phenylethoxy)pentyl]amino]methyl]-5-(trifluoromethyl)benzenemethanol
CID 22164912
1-(4-Amino-3,5-dichlorophenyl)-2-(1-(3,5-difluorophenyl)-2-methylpropan-2-ylamino)ethanol
CID 45483849
[2-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyethyl]-tert-butylazanium;chloride
CID 41037
1-(4-Amino-3-chloro-5-fluorophenyl)-2-(tert-butylamino)ethan-1-ol--hydrogen chloride (1/1)
CID 41998
Benzonitrile, 2-amino-5-(2-(tert-butylamino)-1-hydroxyethyl)-3-chloro-, hydrochloride
CID 42004
Benzenemethanol, 4-amino-3-chloro-alpha-((cyclobutylamino)methyl)-5-(trifluoromethyl)-, monohydrochloride
CID 3041522
Mapenterol hydrochloride
CID 13355612
2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzonitrile
CID 42005
Mapenterol
CID 178787

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline?
The IUPAC name of 4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline (CID 6421397) is 4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline?
The canonical SMILES for 4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline is CC(C)(C)NCC(O[Si](C)(C)C)c1cc(Cl)c(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline?
The InChIKey is IIARFPXXZWKMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClF3N2OSi/c1-15(2,3)22-9-13(23-24(4,5)6)10-7-11(16(18,19)20)14(21)12(17)8-10/h7-8,13,22H,9,21H2,1-6H3.
What are the key properties of 4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline?
4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline has a molecular weight of 382.93 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)-1-trimethylsilyloxyethyl]-2-chloro-6-(trifluoromethyl)aniline is sourced from PubChem (CID 6421397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).