4-(2-diethoxysilylethyl)aniline

C12H21NO2Si — CID 150437018

IUPAC4-(2-diethoxysilylethyl)aniline
SMILESCCO[SiH](CCc1ccc(N)cc1)OCC
InChIInChI=1S/C12H21NO2Si/c1-3-14-16(15-4-2)10-9-11-5-7-12(13)8-6-11/h5-8,16H,3-4,9-10,13H2,1-2H3
InChIKeyHKZBWLYOHZDADB-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.10
Rot. Bonds7

About 4-(2-diethoxysilylethyl)aniline

4-(2-diethoxysilylethyl)aniline (PubChem CID 150437018) has the molecular formula C12H21NO2Si and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-(2-diethoxysilylethyl)aniline.

Molecular Properties

Compound Name4-(2-diethoxysilylethyl)aniline
PubChem CID150437018
Molecular FormulaC12H21NO2Si
Molecular Weight239.39 g/mol
Exact Mass239.13
IUPAC Name4-(2-diethoxysilylethyl)aniline
SMILESCCO[SiH](CCc1ccc(N)cc1)OCC
InChIInChI=1S/C12H21NO2Si/c1-3-14-16(15-4-2)10-9-11-5-7-12(13)8-6-11/h5-8,16H,3-4,9-10,13H2,1-2H3
InChIKeyHKZBWLYOHZDADB-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

diethoxy(3-phenylpropyl)silane
CID 123960403
(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate
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dibutoxy-[2-(4-chlorophenyl)ethyl]silane
CID 154408731
(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
CID 61314877
4-(3,3-diethoxy-3-silylpropyl)aniline
CID 173240002
4-dodecylaniline;nonadecane
CID 155059812
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-hexadecylaniline
CID 571906
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 64750202
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
4-ethylaniline;hydrobromide
CID 86059477
4-(3-ethoxypropoxymethyl)aniline
CID 65176442

Frequently Asked Questions

What is the IUPAC name of 4-(2-diethoxysilylethyl)aniline?
The IUPAC name of 4-(2-diethoxysilylethyl)aniline (CID 150437018) is 4-(2-diethoxysilylethyl)aniline.
What is the SMILES notation for 4-(2-diethoxysilylethyl)aniline?
The canonical SMILES for 4-(2-diethoxysilylethyl)aniline is CCO[SiH](CCc1ccc(N)cc1)OCC.
What is the InChIKey of 4-(2-diethoxysilylethyl)aniline?
The InChIKey is HKZBWLYOHZDADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2Si/c1-3-14-16(15-4-2)10-9-11-5-7-12(13)8-6-11/h5-8,16H,3-4,9-10,13H2,1-2H3.
What are the key properties of 4-(2-diethoxysilylethyl)aniline?
4-(2-diethoxysilylethyl)aniline has a molecular weight of 239.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-diethoxysilylethyl)aniline is sourced from PubChem (CID 150437018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).