4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline

C22H36Br2N2Si2 — CID 161284183

IUPAC4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline
SMILESCc1cc(Br)cc(C)c1N.Cc1cc(Br)cc(C)c1N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H26BrNSi2.C8H10BrN/c1-11-9-13(15)10-12(2)14(11)16(17(3,4)5)18(6,7)8;1-5-3-7(9)4-6(2)8(5)10/h9-10H,1-8H3;3-4H,10H2,1-2H3
InChIKeyVFMMPVAHKFSRER-UHFFFAOYSA-N
MW544.52 g/mol
LogP8.19
Rot. Bonds3

About 4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline

4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline (PubChem CID 161284183) has the molecular formula C22H36Br2N2Si2 and a molecular weight of 544.52 g/mol. Its IUPAC name is 4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline
PubChem CID161284183
Molecular FormulaC22H36Br2N2Si2
Molecular Weight544.52 g/mol
Exact Mass542.08
IUPAC Name4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline
SMILESCc1cc(Br)cc(C)c1N.Cc1cc(Br)cc(C)c1N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H26BrNSi2.C8H10BrN/c1-11-9-13(15)10-12(2)14(11)16(17(3,4)5)18(6,7)8;1-5-3-7(9)4-6(2)8(5)10/h9-10H,1-8H3;3-4H,10H2,1-2H3
InChIKeyVFMMPVAHKFSRER-UHFFFAOYSA-N
XLogP8.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.52
LogP ≤ 58.19
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

2,4-dibromo-6-methylaniline;dihydrobromide
CID 175177436
2,3,5,6-tetramethyl-4-N,4-N-bis(trimethylsilyl)benzene-1,4-diamine
CID 101399310
4-bromo-2-(bromomethyl)-6-methylaniline
CID 154137696
4-bromo-2-ethyl-6-methylaniline
CID 960761
4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline
CID 168966995
6-bromo-4-methyl-1,2-benzoxazol-3-amine
CID 169496974
6-bromo-4-methyl-1,3-benzothiazol-2-amine
CID 17244948
5-bromo-7-methyl-1,3-benzothiazol-2-amine
CID 89313345
cobalt;2,4,6-trimethylaniline
CID 159454360
bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
2,6-dibromo-4-methylpyridin-3-amine
CID 14418048
4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylaniline
CID 11043205

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline?
The IUPAC name of 4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline (CID 161284183) is 4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline?
The canonical SMILES for 4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline is Cc1cc(Br)cc(C)c1N.Cc1cc(Br)cc(C)c1N([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline?
The InChIKey is VFMMPVAHKFSRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNSi2.C8H10BrN/c1-11-9-13(15)10-12(2)14(11)16(17(3,4)5)18(6,7)8;1-5-3-7(9)4-6(2)8(5)10/h9-10H,1-8H3;3-4H,10H2,1-2H3.
What are the key properties of 4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline?
4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline has a molecular weight of 544.52 g/mol, XLogP of 8.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline is sourced from PubChem (CID 161284183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).