4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline

C18H24BrNSi — CID 140821452

IUPAC4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline
SMILESCC(C)(C)[Si](C)(C)N(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H24BrNSi/c1-18(2,3)21(4,5)20(16-9-7-6-8-10-16)17-13-11-15(19)12-14-17/h6-14H,1-5H3
InChIKeyHYFVRVSUZYTEOX-UHFFFAOYSA-N
MW362.39 g/mol
LogP6.59
Rot. Bonds3

About 4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline

4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline (PubChem CID 140821452) has the molecular formula C18H24BrNSi and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline.

Molecular Properties

Compound Name4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline
PubChem CID140821452
Molecular FormulaC18H24BrNSi
Molecular Weight362.39 g/mol
Exact Mass361.09
IUPAC Name4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline
SMILESCC(C)(C)[Si](C)(C)N(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H24BrNSi/c1-18(2,3)21(4,5)20(16-9-7-6-8-10-16)17-13-11-15(19)12-14-17/h6-14H,1-5H3
InChIKeyHYFVRVSUZYTEOX-UHFFFAOYSA-N
XLogP6.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
CID 19763310
(4-bromophenyl)-tert-butyl-dimethylsilane
CID 15446452
(2S)-2-(N-(4-bromophenyl)anilino)propanoic acid
CID 142700956
9-N,10-N-bis(4-bromophenyl)-9-N,10-N-bis(4-tert-butylphenyl)anthracene-9,10-diamine
CID 59180638
bromo(413C)cyclohexatriene
CID 66995401
bromo(113C)cyclohexatriene
CID 11094888
2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131728
N-(4-bromophenyl)-4-diphenylphosphanyl-N-phenylaniline
CID 122219455
N-[tert-butyl(dimethyl)silyl]-N-[2-[ethenyl(dimethyl)silyl]ethyl]aniline
CID 68779146
2-(N-(4-bromophenyl)anilino)acetonitrile
CID 138327614
N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine
CID 67286698

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline?
The IUPAC name of 4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline (CID 140821452) is 4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline.
What is the SMILES notation for 4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline?
The canonical SMILES for 4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline is CC(C)(C)[Si](C)(C)N(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline?
The InChIKey is HYFVRVSUZYTEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNSi/c1-18(2,3)21(4,5)20(16-9-7-6-8-10-16)17-13-11-15(19)12-14-17/h6-14H,1-5H3.
What are the key properties of 4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline?
4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline has a molecular weight of 362.39 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[tert-butyl(dimethyl)silyl]-N-phenylaniline is sourced from PubChem (CID 140821452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).