3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline

C12H21NOSi — CID 89174859

IUPAC3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline
SMILESCC(C)(Cc1cccc(N)c1)[Si](C)(C)O
InChIInChI=1S/C12H21NOSi/c1-12(2,15(3,4)14)9-10-6-5-7-11(13)8-10/h5-8,14H,9,13H2,1-4H3
InChIKeyNWMNKNDKNMMZFZ-UHFFFAOYSA-N
MW223.39 g/mol
LogP2.79
Rot. Bonds3

About 3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline

3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline (PubChem CID 89174859) has the molecular formula C12H21NOSi and a molecular weight of 223.39 g/mol. Its IUPAC name is 3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline.

Molecular Properties

Compound Name3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline
PubChem CID89174859
Molecular FormulaC12H21NOSi
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline
SMILESCC(C)(Cc1cccc(N)c1)[Si](C)(C)O
InChIInChI=1S/C12H21NOSi/c1-12(2,15(3,4)14)9-10-6-5-7-11(13)8-10/h5-8,14H,9,13H2,1-4H3
InChIKeyNWMNKNDKNMMZFZ-UHFFFAOYSA-N
XLogP2.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
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 3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline?
The IUPAC name of 3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline (CID 89174859) is 3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline.
What is the SMILES notation for 3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline?
The canonical SMILES for 3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline is CC(C)(Cc1cccc(N)c1)[Si](C)(C)O.
What is the InChIKey of 3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline?
The InChIKey is NWMNKNDKNMMZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOSi/c1-12(2,15(3,4)14)9-10-6-5-7-11(13)8-10/h5-8,14H,9,13H2,1-4H3.
What are the key properties of 3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline?
3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline has a molecular weight of 223.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline is sourced from PubChem (CID 89174859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).