1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine

C19H22BrNO3Si — CID 66641553

IUPAC1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine
SMILESC=C(N=Cc1cc(Br)ccc1Oc1ccc(OC)cc1)O[Si](C)(C)C
InChIInChI=1S/C19H22BrNO3Si/c1-14(24-25(3,4)5)21-13-15-12-16(20)6-11-19(15)23-18-9-7-17(22-2)8-10-18/h6-13H,1H2,2-5H3
InChIKeyDTRJMCKRURMMRB-UHFFFAOYSA-N
MW420.38 g/mol
LogP5.99
Rot. Bonds7

About 1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine

1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine (PubChem CID 66641553) has the molecular formula C19H22BrNO3Si and a molecular weight of 420.38 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine.

Molecular Properties

Compound Name1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine
PubChem CID66641553
Molecular FormulaC19H22BrNO3Si
Molecular Weight420.38 g/mol
Exact Mass419.06
IUPAC Name1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine
SMILESC=C(N=Cc1cc(Br)ccc1Oc1ccc(OC)cc1)O[Si](C)(C)C
InChIInChI=1S/C19H22BrNO3Si/c1-14(24-25(3,4)5)21-13-15-12-16(20)6-11-19(15)23-18-9-7-17(22-2)8-10-18/h6-13H,1H2,2-5H3
InChIKeyDTRJMCKRURMMRB-UHFFFAOYSA-N
XLogP5.99
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.38
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine?
The IUPAC name of 1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine (CID 66641553) is 1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine.
What is the SMILES notation for 1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine?
The canonical SMILES for 1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine is C=C(N=Cc1cc(Br)ccc1Oc1ccc(OC)cc1)O[Si](C)(C)C.
What is the InChIKey of 1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine?
The InChIKey is DTRJMCKRURMMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3Si/c1-14(24-25(3,4)5)21-13-15-12-16(20)6-11-19(15)23-18-9-7-17(22-2)8-10-18/h6-13H,1H2,2-5H3.
What are the key properties of 1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine?
1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine has a molecular weight of 420.38 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine is sourced from PubChem (CID 66641553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).