4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline

C17H19ClF3NOSi — CID 123685522

IUPAC4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline
SMILESC[SiH](C)COC(c1ccc(N)cc1)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C17H19ClF3NOSi/c1-24(2)11-23-16(17(19,20)21,12-3-7-14(18)8-4-12)13-5-9-15(22)10-6-13/h3-10,24H,11,22H2,1-2H3
InChIKeyZMCOSCSVPROGLW-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.77
Rot. Bonds5

About 4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline

4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline (PubChem CID 123685522) has the molecular formula C17H19ClF3NOSi and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline
PubChem CID123685522
Molecular FormulaC17H19ClF3NOSi
Molecular Weight373.88 g/mol
Exact Mass373.09
IUPAC Name4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline
SMILESC[SiH](C)COC(c1ccc(N)cc1)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C17H19ClF3NOSi/c1-24(2)11-23-16(17(19,20)21,12-3-7-14(18)8-4-12)13-5-9-15(22)10-6-13/h3-10,24H,11,22H2,1-2H3
InChIKeyZMCOSCSVPROGLW-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-amino-3-methylphenyl)-4-(4-chlorophenyl)-1,1,1-trifluorobut-3-en-2-ol
CID 23131626
1-(4-Amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
CID 23131631
4-[1-(4-Chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline
CID 23131641
4-{1-(4-Chlorophenyl)-2,2,2-trifluoro-1-[(trimethylsilyl)-oxy]ethyl}aniline
CID 67172414
[1-(4-Chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]-(trimethyl)silane
CID 67337560
1-(4-Amino-3-methylphenyl)-3-(4-chlorophenyl)-1-trifluoromethyl-2-propen-1-ol
CID 69334175
4-[1-(4-Chlorophenyl)-1-ethoxy-2,2,2-trifluoroethyl]aniline
CID 91510747
[1-(4-Chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane
CID 123273601
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]-1-methoxyethyl]aniline
CID 132157282
4-(2,2,2-Trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline
CID 140890746
3-[1-(4-Chlorophenyl)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline
CID 141260456
4-[1-(4-Chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline;[1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]methyl-dimethylsilane
CID 161218201

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline?
The IUPAC name of 4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline (CID 123685522) is 4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline?
The canonical SMILES for 4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline is C[SiH](C)COC(c1ccc(N)cc1)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline?
The InChIKey is ZMCOSCSVPROGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3NOSi/c1-24(2)11-23-16(17(19,20)21,12-3-7-14(18)8-4-12)13-5-9-15(22)10-6-13/h3-10,24H,11,22H2,1-2H3.
What are the key properties of 4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline?
4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline has a molecular weight of 373.88 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-1-(dimethylsilylmethoxy)-2,2,2-trifluoroethyl]aniline is sourced from PubChem (CID 123685522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).