N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine

C22H29FN2OSi — CID 90005905

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine
SMILESCC(C)(C)[Si](C)(C)OCCNc1cc2ccn(-c3ccccc3)c2cc1F
InChIInChI=1S/C22H29FN2OSi/c1-22(2,3)27(4,5)26-14-12-24-20-15-17-11-13-25(21(17)16-19(20)23)18-9-7-6-8-10-18/h6-11,13,15-16,24H,12,14H2,1-5H3
InChIKeySXBORSAWWPYOEF-UHFFFAOYSA-N
MW384.57 g/mol
LogP6.20
Rot. Bonds6

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine (PubChem CID 90005905) has the molecular formula C22H29FN2OSi and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine
PubChem CID90005905
Molecular FormulaC22H29FN2OSi
Molecular Weight384.57 g/mol
Exact Mass384.20
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine
SMILESCC(C)(C)[Si](C)(C)OCCNc1cc2ccn(-c3ccccc3)c2cc1F
InChIInChI=1S/C22H29FN2OSi/c1-22(2,3)27(4,5)26-14-12-24-20-15-17-11-13-25(21(17)16-19(20)23)18-9-7-6-8-10-18/h6-11,13,15-16,24H,12,14H2,1-5H3
InChIKeySXBORSAWWPYOEF-UHFFFAOYSA-N
XLogP6.20
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]oxyethyl]-6-fluoro-1-phenylindol-5-amine?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine (CID 90005905) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine is CC(C)(C)[Si](C)(C)OCCNc1cc2ccn(-c3ccccc3)c2cc1F.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine?
The InChIKey is SXBORSAWWPYOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2OSi/c1-22(2,3)27(4,5)26-14-12-24-20-15-17-11-13-25(21(17)16-19(20)23)18-9-7-6-8-10-18/h6-11,13,15-16,24H,12,14H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine has a molecular weight of 384.57 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-fluoro-1-phenylindol-5-amine is sourced from PubChem (CID 90005905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).