4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline

C15H25BrClNOSi — CID 140964203

IUPAC4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline
SMILESCc1c(Br)ccc(NCCO[Si](C)(C)C(C)(C)C)c1Cl
InChIInChI=1S/C15H25BrClNOSi/c1-11-12(16)7-8-13(14(11)17)18-9-10-19-20(5,6)15(2,3)4/h7-8,18H,9-10H2,1-6H3
InChIKeySMJWIWDNZFDAGK-UHFFFAOYSA-N
MW378.81 g/mol
LogP5.84
Rot. Bonds5

About 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline

4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline (PubChem CID 140964203) has the molecular formula C15H25BrClNOSi and a molecular weight of 378.81 g/mol. Its IUPAC name is 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline
PubChem CID140964203
Molecular FormulaC15H25BrClNOSi
Molecular Weight378.81 g/mol
Exact Mass377.06
IUPAC Name4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline
SMILESCc1c(Br)ccc(NCCO[Si](C)(C)C(C)(C)C)c1Cl
InChIInChI=1S/C15H25BrClNOSi/c1-11-12(16)7-8-13(14(11)17)18-9-10-19-20(5,6)15(2,3)4/h7-8,18H,9-10H2,1-6H3
InChIKeySMJWIWDNZFDAGK-UHFFFAOYSA-N
XLogP5.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.81
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline?
The IUPAC name of 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline (CID 140964203) is 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline.
What is the SMILES notation for 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline?
The canonical SMILES for 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline is Cc1c(Br)ccc(NCCO[Si](C)(C)C(C)(C)C)c1Cl.
What is the InChIKey of 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline?
The InChIKey is SMJWIWDNZFDAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrClNOSi/c1-11-12(16)7-8-13(14(11)17)18-9-10-19-20(5,6)15(2,3)4/h7-8,18H,9-10H2,1-6H3.
What are the key properties of 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline?
4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline has a molecular weight of 378.81 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-3-methylaniline is sourced from PubChem (CID 140964203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).