2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol

C21H28N2OSi — CID 123985238

IUPAC2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol
SMILESCN(n1ccc2ccccc21)[Si](C)(C)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C21H28N2OSi/c1-21(2,3)17-11-9-13-19(20(17)24)25(5,6)22(4)23-15-14-16-10-7-8-12-18(16)23/h7-15,24H,1-6H3
InChIKeyFYPDBAMRTYJPFX-UHFFFAOYSA-N
MW352.55 g/mol
LogP4.32
Rot. Bonds3

About 2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol

2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol (PubChem CID 123985238) has the molecular formula C21H28N2OSi and a molecular weight of 352.55 g/mol. Its IUPAC name is 2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol
PubChem CID123985238
Molecular FormulaC21H28N2OSi
Molecular Weight352.55 g/mol
Exact Mass352.20
IUPAC Name2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol
SMILESCN(n1ccc2ccccc21)[Si](C)(C)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C21H28N2OSi/c1-21(2,3)17-11-9-13-19(20(17)24)25(5,6)22(4)23-15-14-16-10-7-8-12-18(16)23/h7-15,24H,1-6H3
InChIKeyFYPDBAMRTYJPFX-UHFFFAOYSA-N
XLogP4.32
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[dimethyl-[methyl(trimethylsilyl)amino]silyl]phenol
CID 123384663
2-tert-butyl-6-[dimethyl-[methyl(naphthalen-1-yl)amino]silyl]phenol;dichlorozirconium
CID 123642895
2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol
CID 123669813
2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol
CID 123383962
2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol;dichlorozirconium
CID 123669812
N,N-dimethylindol-1-amine;methane
CID 159899894
2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium
CID 123300836
N-methyl-N-pyridin-4-ylindol-1-amine
CID 10799123
2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium
CID 123507589
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol
CID 87862059
2-amino-N-indol-1-yl-N-methylacetamide
CID 15345477

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol?
The IUPAC name of 2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol (CID 123985238) is 2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol is CN(n1ccc2ccccc21)[Si](C)(C)c1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol?
The InChIKey is FYPDBAMRTYJPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OSi/c1-21(2,3)17-11-9-13-19(20(17)24)25(5,6)22(4)23-15-14-16-10-7-8-12-18(16)23/h7-15,24H,1-6H3.
What are the key properties of 2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol?
2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol has a molecular weight of 352.55 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol is sourced from PubChem (CID 123985238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).