N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine

C23H32N2OSi — CID 90180457

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine
SMILESCc1ccccc1-n1ccc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C23H32N2OSi/c1-18-9-7-8-10-21(18)25-15-13-19-17-20(11-12-22(19)25)24-14-16-26-27(5,6)23(2,3)4/h7-13,15,17,24H,14,16H2,1-6H3
InChIKeyXWKHHSLSZVCZFR-UHFFFAOYSA-N
MW380.61 g/mol
LogP6.37
Rot. Bonds6

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine (PubChem CID 90180457) has the molecular formula C23H32N2OSi and a molecular weight of 380.61 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine
PubChem CID90180457
Molecular FormulaC23H32N2OSi
Molecular Weight380.61 g/mol
Exact Mass380.23
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine
SMILESCc1ccccc1-n1ccc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C23H32N2OSi/c1-18-9-7-8-10-21(18)25-15-13-19-17-20(11-12-22(19)25)24-14-16-26-27(5,6)23(2,3)4/h7-13,15,17,24H,14,16H2,1-6H3
InChIKeyXWKHHSLSZVCZFR-UHFFFAOYSA-N
XLogP6.37
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 56.37
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]-1-(2-methylphenyl)indol-5-amine?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine (CID 90180457) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine is Cc1ccccc1-n1ccc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine?
The InChIKey is XWKHHSLSZVCZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2OSi/c1-18-9-7-8-10-21(18)25-15-13-19-17-20(11-12-22(19)25)24-14-16-26-27(5,6)23(2,3)4/h7-13,15,17,24H,14,16H2,1-6H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methylphenyl)indol-5-amine has a molecular weight of 380.61 g/mol, XLogP of 6.37, 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]-1-(2-methylphenyl)indol-5-amine is sourced from PubChem (CID 90180457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).