2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline

C14H23F2NOSi — CID 175233037

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline
SMILESCNc1c(F)ccc(F)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23F2NOSi/c1-14(2,3)19(5,6)18-9-10-11(15)7-8-12(16)13(10)17-4/h7-8,17H,9H2,1-6H3
InChIKeyXRBRANVLOVHOPL-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.53
Rot. Bonds4

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline (PubChem CID 175233037) has the molecular formula C14H23F2NOSi and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline
PubChem CID175233037
Molecular FormulaC14H23F2NOSi
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline
SMILESCNc1c(F)ccc(F)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23F2NOSi/c1-14(2,3)19(5,6)18-9-10-11(15)7-8-12(16)13(10)17-4/h7-8,17H,9H2,1-6H3
InChIKeyXRBRANVLOVHOPL-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline (CID 175233037) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline is CNc1c(F)ccc(F)c1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline?
The InChIKey is XRBRANVLOVHOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NOSi/c1-14(2,3)19(5,6)18-9-10-11(15)7-8-12(16)13(10)17-4/h7-8,17H,9H2,1-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluoro-N-methylaniline has a molecular weight of 287.43 g/mol, XLogP of 4.53, 4 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]-3,6-difluoro-N-methylaniline is sourced from PubChem (CID 175233037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).