2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline

C14H25NOSi — CID 155655100

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline
SMILESCc1ccc(CO[Si](C)(C)C(C)(C)C)c(N)c1
InChIInChI=1S/C14H25NOSi/c1-11-7-8-12(13(15)9-11)10-16-17(5,6)14(2,3)4/h7-9H,10,15H2,1-6H3
InChIKeyBQXQHALKBCIMQF-UHFFFAOYSA-N
MW251.45 g/mol
LogP4.10
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline (PubChem CID 155655100) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline
PubChem CID155655100
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline
SMILESCc1ccc(CO[Si](C)(C)C(C)(C)C)c(N)c1
InChIInChI=1S/C14H25NOSi/c1-11-7-8-12(13(15)9-11)10-16-17(5,6)14(2,3)4/h7-9H,10,15H2,1-6H3
InChIKeyBQXQHALKBCIMQF-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 54.10
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

2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline
CID 141256981
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodoaniline
CID 125465241
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 24807327
tert-butyl-[(2,4-dichlorophenyl)methoxy]-dimethylsilane
CID 91737025
5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
CID 71429023
tert-butyl-[(2,5-dimethylthiophen-3-yl)methoxy]-dimethylsilane
CID 175923025
tert-butyl-[(4-ethyl-3-methylphenyl)methoxy]-dimethylsilane
CID 167684834
5-[[tert-butyl(dimethyl)silyl]oxymethyl]naphthalen-2-amine
CID 91436936
2-(chloromethyl)-5-methylaniline
CID 91883475
(2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 138375836

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline (CID 155655100) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline is Cc1ccc(CO[Si](C)(C)C(C)(C)C)c(N)c1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline?
The InChIKey is BQXQHALKBCIMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOSi/c1-11-7-8-12(13(15)9-11)10-16-17(5,6)14(2,3)4/h7-9H,10,15H2,1-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline has a molecular weight of 251.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline is sourced from PubChem (CID 155655100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).