3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol

C17H15FN2O — CID 135604974

IUPAC3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
SMILESCCc1cccc(/N=C/c2c(O)[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C17H15FN2O/c1-2-11-4-3-5-13(8-11)19-10-15-14-9-12(18)6-7-16(14)20-17(15)21/h3-10,20-21H,2H2,1H3/b19-10+
InChIKeyARPWMUAAWXVSKX-VXLYETTFSA-N
MW282.32 g/mol
LogP4.33
Rot. Bonds3

About 3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol

3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol (PubChem CID 135604974) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
PubChem CID135604974
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
SMILESCCc1cccc(/N=C/c2c(O)[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C17H15FN2O/c1-2-11-4-3-5-13(8-11)19-10-15-14-9-12(18)6-7-16(14)20-17(15)21/h3-10,20-21H,2H2,1H3/b19-10+
InChIKeyARPWMUAAWXVSKX-VXLYETTFSA-N
XLogP4.33
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 136996107
3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol
CID 136996051
3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 136996138
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996538
3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605264
5-fluoro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482238
3-[[4-(4-butan-2-ylpiperazin-1-yl)phenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605311
3-[[4-[ethyl(2-methoxyethyl)amino]-3-(trifluoromethyl)phenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605546
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554
3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
CID 135605075
5-chloro-3-[[4-(hydroxymethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482145

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol (CID 135604974) is 3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol is CCc1cccc(/N=C/c2c(O)[nH]c3ccc(F)cc23)c1.
What is the InChIKey of 3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol?
The InChIKey is ARPWMUAAWXVSKX-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-2-11-4-3-5-13(8-11)19-10-15-14-9-12(18)6-7-16(14)20-17(15)21/h3-10,20-21H,2H2,1H3/b19-10+.
What are the key properties of 3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol?
3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol has a molecular weight of 282.32 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol is sourced from PubChem (CID 135604974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).