2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol

C21H31NOSi — CID 70065427

IUPAC2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol
SMILESCC(C)(C)[Si](C)(C)NC(CO)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H31NOSi/c1-21(2,3)24(4,5)22-20(16-23)15-17-11-13-19(14-12-17)18-9-7-6-8-10-18/h6-14,20,22-23H,15-16H2,1-5H3
InChIKeyXEOXYLQKLNCXIV-UHFFFAOYSA-N
MW341.57 g/mol
LogP4.85
Rot. Bonds6

About 2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol

2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol (PubChem CID 70065427) has the molecular formula C21H31NOSi and a molecular weight of 341.57 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol
PubChem CID70065427
Molecular FormulaC21H31NOSi
Molecular Weight341.57 g/mol
Exact Mass341.22
IUPAC Name2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol
SMILESCC(C)(C)[Si](C)(C)NC(CO)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H31NOSi/c1-21(2,3)24(4,5)22-20(16-23)15-17-11-13-19(14-12-17)18-9-7-6-8-10-18/h6-14,20,22-23H,15-16H2,1-5H3
InChIKeyXEOXYLQKLNCXIV-UHFFFAOYSA-N
XLogP4.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 54.85
H-Bond Donors ≤ 52
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]amino]-3-(4-phenylphenyl)propan-1-ol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol (CID 70065427) is 2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol is CC(C)(C)[Si](C)(C)NC(CO)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol?
The InChIKey is XEOXYLQKLNCXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NOSi/c1-21(2,3)24(4,5)22-20(16-23)15-17-11-13-19(14-12-17)18-9-7-6-8-10-18/h6-14,20,22-23H,15-16H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol?
2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol has a molecular weight of 341.57 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]amino]-3-(4-phenylphenyl)propan-1-ol is sourced from PubChem (CID 70065427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).