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

C14H24ClNOSi — CID 68654630

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline
SMILESCC(C)(C)[Si](C)(C)OCCc1cc(N)ccc1Cl
InChIInChI=1S/C14H24ClNOSi/c1-14(2,3)18(4,5)17-9-8-11-10-12(16)6-7-13(11)15/h6-7,10H,8-9,16H2,1-5H3
InChIKeyUPCDXDZGFQAJLW-UHFFFAOYSA-N
MW285.89 g/mol
LogP4.49
Rot. Bonds4

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

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline (PubChem CID 68654630) has the molecular formula C14H24ClNOSi and a molecular weight of 285.89 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline
PubChem CID68654630
Molecular FormulaC14H24ClNOSi
Molecular Weight285.89 g/mol
Exact Mass285.13
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline
SMILESCC(C)(C)[Si](C)(C)OCCc1cc(N)ccc1Cl
InChIInChI=1S/C14H24ClNOSi/c1-14(2,3)18(4,5)17-9-8-11-10-12(16)6-7-13(11)15/h6-7,10H,8-9,16H2,1-5H3
InChIKeyUPCDXDZGFQAJLW-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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Related Compounds

4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline
CID 166154406
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyridine-2,5-diamine
CID 68848859
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline
CID 125465241
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate
CID 139036162
1-N-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-N-methylbenzene-1,4-diamine
CID 68804527
N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine
CID 87286998
2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane
CID 164858094
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 10853618
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 18788179
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylpyridine-2-carbaldehyde
CID 158302503

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline (CID 68654630) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline is CC(C)(C)[Si](C)(C)OCCc1cc(N)ccc1Cl.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline?
The InChIKey is UPCDXDZGFQAJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNOSi/c1-14(2,3)18(4,5)17-9-8-11-10-12(16)6-7-13(11)15/h6-7,10H,8-9,16H2,1-5H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-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 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline is sourced from PubChem (CID 68654630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).