5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine

C12H21BrN2O2Si — CID 140775426

IUPAC5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine
SMILESC[Si](C)(C)CCOCOc1cc(Br)cc(N)c1N
InChIInChI=1S/C12H21BrN2O2Si/c1-18(2,3)5-4-16-8-17-11-7-9(13)6-10(14)12(11)15/h6-7H,4-5,8,14-15H2,1-3H3
InChIKeySYKBXRWMIIVLDE-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.30
Rot. Bonds6

About 5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine

5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine (PubChem CID 140775426) has the molecular formula C12H21BrN2O2Si and a molecular weight of 333.30 g/mol. Its IUPAC name is 5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine
PubChem CID140775426
Molecular FormulaC12H21BrN2O2Si
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine
SMILESC[Si](C)(C)CCOCOc1cc(Br)cc(N)c1N
InChIInChI=1S/C12H21BrN2O2Si/c1-18(2,3)5-4-16-8-17-11-7-9(13)6-10(14)12(11)15/h6-7H,4-5,8,14-15H2,1-3H3
InChIKeySYKBXRWMIIVLDE-UHFFFAOYSA-N
XLogP3.30
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-3-methoxyphenylene-1,2-diamine
CID 67062475
4-Bromo-6-(3,3-diethoxypropoxy)-3-fluorobenzene-1,2-diamine
CID 126673823
4-Bromo-3-fluoro-6-methoxybenzene-1,2-diamine
CID 126673825
3-Fluoro-6-methoxy-4-(methylidene-lambda3-bromanyl)benzene-1,2-diamine
CID 163849395
5-Bromo-3-(trifluoromethoxy)benzene-1,2-diamine
CID 51342059
5-Bromo-3-methoxybenzene-1,2-diamine
CID 50879057
3-Bromo-5-methoxymethoxy-phenylamine
CID 59540873
5-Bromo-3-[tert-butyl(dimethyl)silyl]oxybenzene-1,2-diamine
CID 59734229
(2,3-Diamino-5-bromophenyl) formate
CID 88835372
5-Bromo-3-(2-methoxyethoxy)-1,2-benzenediamine
CID 122419545
4-Bromo-2-(3,3-dimethoxypropoxy)-6-nitroaniline
CID 126673762
5-Bromo-3-(3,3-dimethoxypropoxy)benzene-1,2-diamine
CID 126673790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine?
The IUPAC name of 5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine (CID 140775426) is 5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine.
What is the SMILES notation for 5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine?
The canonical SMILES for 5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine is C[Si](C)(C)CCOCOc1cc(Br)cc(N)c1N.
What is the InChIKey of 5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine?
The InChIKey is SYKBXRWMIIVLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O2Si/c1-18(2,3)5-4-16-8-17-11-7-9(13)6-10(14)12(11)15/h6-7H,4-5,8,14-15H2,1-3H3.
What are the key properties of 5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine?
5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine has a molecular weight of 333.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-trimethylsilylethoxymethoxy)benzene-1,2-diamine is sourced from PubChem (CID 140775426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).