4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline

C14H24ClNOSi — CID 166154406

IUPAC4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline
SMILESCC(C)(C)[Si](C)(C)OCCc1ccc(N)cc1Cl
InChIInChI=1S/C14H24ClNOSi/c1-14(2,3)18(4,5)17-9-8-11-6-7-12(16)10-13(11)15/h6-7,10H,8-9,16H2,1-5H3
InChIKeySDWMUGVZWOHABO-UHFFFAOYSA-N
MW285.89 g/mol
LogP4.49
Rot. Bonds4

About 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline

4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline (PubChem CID 166154406) has the molecular formula C14H24ClNOSi and a molecular weight of 285.89 g/mol. Its IUPAC name is 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline.

Molecular Properties

Compound Name4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline
PubChem CID166154406
Molecular FormulaC14H24ClNOSi
Molecular Weight285.89 g/mol
Exact Mass285.13
IUPAC Name4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline
SMILESCC(C)(C)[Si](C)(C)OCCc1ccc(N)cc1Cl
InChIInChI=1S/C14H24ClNOSi/c1-14(2,3)18(4,5)17-9-8-11-6-7-12(16)10-13(11)15/h6-7,10H,8-9,16H2,1-5H3
InChIKeySDWMUGVZWOHABO-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.89
LogP ≤ 54.49
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline?
The IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline (CID 166154406) is 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline.
What is the SMILES notation for 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline?
The canonical SMILES for 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline is CC(C)(C)[Si](C)(C)OCCc1ccc(N)cc1Cl.
What is the InChIKey of 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline?
The InChIKey is SDWMUGVZWOHABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNOSi/c1-14(2,3)18(4,5)17-9-8-11-6-7-12(16)10-13(11)15/h6-7,10H,8-9,16H2,1-5H3.
What are the key properties of 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline?
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline has a molecular weight of 285.89 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline is sourced from PubChem (CID 166154406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).