N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline

C21H29F2NOSi — CID 67439833

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline
SMILESCC(CNc1ccc(-c2c(F)cccc2F)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H29F2NOSi/c1-15(25-26(5,6)21(2,3)4)14-24-17-12-10-16(11-13-17)20-18(22)8-7-9-19(20)23/h7-13,15,24H,14H2,1-6H3
InChIKeyQXAMURPAWCNAAX-UHFFFAOYSA-N
MW377.55 g/mol
LogP6.45
Rot. Bonds6

About N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline

N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline (PubChem CID 67439833) has the molecular formula C21H29F2NOSi and a molecular weight of 377.55 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline
PubChem CID67439833
Molecular FormulaC21H29F2NOSi
Molecular Weight377.55 g/mol
Exact Mass377.20
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline
SMILESCC(CNc1ccc(-c2c(F)cccc2F)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H29F2NOSi/c1-15(25-26(5,6)21(2,3)4)14-24-17-12-10-16(11-13-17)20-18(22)8-7-9-19(20)23/h7-13,15,24H,14H2,1-6H3
InChIKeyQXAMURPAWCNAAX-UHFFFAOYSA-N
XLogP6.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.55
LogP ≤ 56.45
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 N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline (CID 67439833) is N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline is CC(CNc1ccc(-c2c(F)cccc2F)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline?
The InChIKey is QXAMURPAWCNAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F2NOSi/c1-15(25-26(5,6)21(2,3)4)14-24-17-12-10-16(11-13-17)20-18(22)8-7-9-19(20)23/h7-13,15,24H,14H2,1-6H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline?
N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline has a molecular weight of 377.55 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2,6-difluorophenyl)aniline is sourced from PubChem (CID 67439833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).