2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline

C23H26BrNOSi — CID 153278666

IUPAC2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
SMILESCC(C)(C)[Si](OCc1cccc(Br)c1N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26BrNOSi/c1-23(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-17-18-11-10-16-21(24)22(18)25/h4-16H,17,25H2,1-3H3
InChIKeyNZYZRDQLULZYFY-UHFFFAOYSA-N
MW440.46 g/mol
LogP5.11
Rot. Bonds5

About 2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline

2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline (PubChem CID 153278666) has the molecular formula C23H26BrNOSi and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline.

Molecular Properties

Compound Name2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
PubChem CID153278666
Molecular FormulaC23H26BrNOSi
Molecular Weight440.46 g/mol
Exact Mass439.10
IUPAC Name2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
SMILESCC(C)(C)[Si](OCc1cccc(Br)c1N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26BrNOSi/c1-23(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-17-18-11-10-16-21(24)22(18)25/h4-16H,17,25H2,1-3H3
InChIKeyNZYZRDQLULZYFY-UHFFFAOYSA-N
XLogP5.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 55.11
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

3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
CID 59410156
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-phenylmethanol
CID 102217007
2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophen-3-amine
CID 160666543
(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane
CID 10670102
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridin-2-amine
CID 59295334
2-(2-bromophenyl)-1-[tert-butyl(diphenyl)silyl]oxyethanol
CID 91481130
2-[3-bromo-4-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]benzonitrile
CID 131720219
CID 167554444
CID 167554444
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide
CID 69018519

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline?
The IUPAC name of 2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline (CID 153278666) is 2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline.
What is the SMILES notation for 2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline?
The canonical SMILES for 2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline is CC(C)(C)[Si](OCc1cccc(Br)c1N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline?
The InChIKey is NZYZRDQLULZYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrNOSi/c1-23(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-17-18-11-10-16-21(24)22(18)25/h4-16H,17,25H2,1-3H3.
What are the key properties of 2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline?
2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline has a molecular weight of 440.46 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline is sourced from PubChem (CID 153278666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).