[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine

C14H23F2NOSi — CID 140876946

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine
SMILESCC(C)(C)[Si](C)(C)OCc1c(F)ccc(F)c1CN
InChIInChI=1S/C14H23F2NOSi/c1-14(2,3)19(4,5)18-9-11-10(8-17)12(15)6-7-13(11)16/h6-7H,8-9,17H2,1-5H3
InChIKeyCKMYRYHXDSLGTE-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.95
Rot. Bonds4

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine (PubChem CID 140876946) 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-difluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine
PubChem CID140876946
Molecular FormulaC14H23F2NOSi
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine
SMILESCC(C)(C)[Si](C)(C)OCc1c(F)ccc(F)c1CN
InChIInChI=1S/C14H23F2NOSi/c1-14(2,3)19(4,5)18-9-11-10(8-17)12(15)6-7-13(11)16/h6-7H,8-9,17H2,1-5H3
InChIKeyCKMYRYHXDSLGTE-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine (CID 140876946) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine is CC(C)(C)[Si](C)(C)OCc1c(F)ccc(F)c1CN.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine?
The InChIKey is CKMYRYHXDSLGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NOSi/c1-14(2,3)19(4,5)18-9-11-10(8-17)12(15)6-7-13(11)16/h6-7H,8-9,17H2,1-5H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-difluorophenyl]methanamine has a molecular weight of 287.43 g/mol, XLogP of 3.95, 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-difluorophenyl]methanamine is sourced from PubChem (CID 140876946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).