3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol

C13H15FN2O — CID 136996051

IUPAC3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol
SMILESCC(C)(C)/N=C/c1c(O)[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O/c1-13(2,3)15-7-10-9-6-8(14)4-5-11(9)16-12(10)17/h4-7,16-17H,1-3H3/b15-7+
InChIKeyBYGWJYZLDAZJDL-VIZOYTHASA-N
MW234.27 g/mol
LogP3.23
Rot. Bonds1

About 3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol

3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol (PubChem CID 136996051) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol
PubChem CID136996051
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol
SMILESCC(C)(C)/N=C/c1c(O)[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O/c1-13(2,3)15-7-10-9-6-8(14)4-5-11(9)16-12(10)17/h4-7,16-17H,1-3H3/b15-7+
InChIKeyBYGWJYZLDAZJDL-VIZOYTHASA-N
XLogP3.23
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135604974
N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 136996107
3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 136996138
5-fluoro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482238
3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605264
3-[[4-(4-butan-2-ylpiperazin-1-yl)phenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605311
5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006298
3-[[4-[ethyl(2-methoxyethyl)amino]-3-(trifluoromethyl)phenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605546
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996538
5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol
CID 136996443
3-diazenyl-5-fluoro-1H-indol-2-ol
CID 135508209

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol?
The IUPAC name of 3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol (CID 136996051) is 3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol is CC(C)(C)/N=C/c1c(O)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol?
The InChIKey is BYGWJYZLDAZJDL-VIZOYTHASA-N. The full InChI is InChI=1S/C13H15FN2O/c1-13(2,3)15-7-10-9-6-8(14)4-5-11(9)16-12(10)17/h4-7,16-17H,1-3H3/b15-7+.
What are the key properties of 3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol?
3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol has a molecular weight of 234.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol is sourced from PubChem (CID 136996051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).