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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Related Compounds

Benzyl-[2-(1H-indol-4-yloxy)-ethyl]-amine
CID 9838216
[2-(1H-Indol-4-yloxy)-ethyl]-(4-phenyl-butyl)-amine
CID 9861435
O-Benzyl Psilocin
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6-Methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-1H-indole
CID 10475895
1,1,2,2-tetradeuterio-2-(4-phenylmethoxy-1H-indol-3-yl)-N,N-bis(trideuteriomethyl)ethanamine
CID 164621659
2,2,2-trifluoro-N-[2-(6-methoxyindol-1-yl)ethyl]acetamide
CID 10589256
1-[3-[3-(Dimethylamino)-1-phenylpropoxy]phenyl]-3-(1-methylindol-5-yl)urea
CID 90656238
N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine
CID 90671566
4-[1-(4-fluorophenyl)indol-3-yl]-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 118720776
3-[[4,4-difluoro-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methyl]-6-methoxy-1H-indole
CID 134133978
3-[[4,4-difluoro-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-6-methoxy-1H-indole
CID 134134983
3-[[(3S)-4,4-difluoro-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-6-methoxy-1H-indole
CID 134137565

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).