N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine

C23H29F3N2O2Si — CID 86719982

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc2c(ccn2-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C23H29F3N2O2Si/c1-22(2,3)31(4,5)29-14-12-27-18-9-10-21-17(15-18)11-13-28(21)19-7-6-8-20(16-19)30-23(24,25)26/h6-11,13,15-16,27H,12,14H2,1-5H3
InChIKeyNNBZKRURCPHJRI-UHFFFAOYSA-N
MW450.58 g/mol
LogP6.96
Rot. Bonds7

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine (PubChem CID 86719982) has the molecular formula C23H29F3N2O2Si and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine
PubChem CID86719982
Molecular FormulaC23H29F3N2O2Si
Molecular Weight450.58 g/mol
Exact Mass450.20
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc2c(ccn2-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C23H29F3N2O2Si/c1-22(2,3)31(4,5)29-14-12-27-18-9-10-21-17(15-18)11-13-28(21)19-7-6-8-20(16-19)30-23(24,25)26/h6-11,13,15-16,27H,12,14H2,1-5H3
InChIKeyNNBZKRURCPHJRI-UHFFFAOYSA-N
XLogP6.96
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(trifluoromethoxy)phenyl]indol-5-amine?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine (CID 86719982) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine is CC(C)(C)[Si](C)(C)OCCNc1ccc2c(ccn2-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine?
The InChIKey is NNBZKRURCPHJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N2O2Si/c1-22(2,3)31(4,5)29-14-12-27-18-9-10-21-17(15-18)11-13-28(21)19-7-6-8-20(16-19)30-23(24,25)26/h6-11,13,15-16,27H,12,14H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine has a molecular weight of 450.58 g/mol, XLogP of 6.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[3-(trifluoromethoxy)phenyl]indol-5-amine is sourced from PubChem (CID 86719982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).