3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol

C18H17FN2O — CID 136996625

IUPAC3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
SMILESCc1ccc2c(/C=N/CCc3ccccc3F)c(O)[nH]c2c1
InChIInChI=1S/C18H17FN2O/c1-12-6-7-14-15(18(22)21-17(14)10-12)11-20-9-8-13-4-2-3-5-16(13)19/h2-7,10-11,21-22H,8-9H2,1H3/b20-11+
InChIKeyAGPGRAIUXXPSHI-RGVLZGJSSA-N
MW296.34 g/mol
LogP3.98
Rot. Bonds4

About 3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol

3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol (PubChem CID 136996625) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
PubChem CID136996625
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
SMILESCc1ccc2c(/C=N/CCc3ccccc3F)c(O)[nH]c2c1
InChIInChI=1S/C18H17FN2O/c1-12-6-7-14-15(18(22)21-17(14)10-12)11-20-9-8-13-4-2-3-5-16(13)19/h2-7,10-11,21-22H,8-9H2,1H3/b20-11+
InChIKeyAGPGRAIUXXPSHI-RGVLZGJSSA-N
XLogP3.98
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.98
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

3-[(2-fluorophenyl)methyliminomethyl]-1H-indol-2-ol
CID 136995957
6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136996612
6-methyl-3-[(2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996645
3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 2859778
3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006158
3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136995955
6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
CID 137006375
3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136995960
3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006199
4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol
CID 135758638
5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol
CID 136996443

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol?
The IUPAC name of 3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol (CID 136996625) is 3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol is Cc1ccc2c(/C=N/CCc3ccccc3F)c(O)[nH]c2c1.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol?
The InChIKey is AGPGRAIUXXPSHI-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-6-7-14-15(18(22)21-17(14)10-12)11-20-9-8-13-4-2-3-5-16(13)19/h2-7,10-11,21-22H,8-9H2,1H3/b20-11+.
What are the key properties of 3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol?
3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol has a molecular weight of 296.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol is sourced from PubChem (CID 136996625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).