7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol

C16H19FN2O — CID 90034725

IUPAC7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol
SMILESCC1(C)CNC2=C1C=CC(F)C2(O)c1ccccc1N
InChIInChI=1S/C16H19FN2O/c1-15(2)9-19-14-11(15)7-8-13(17)16(14,20)10-5-3-4-6-12(10)18/h3-8,13,19-20H,9,18H2,1-2H3
InChIKeyPAUXEEIWMHHXQA-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.25
Rot. Bonds1

About 7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol

7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol (PubChem CID 90034725) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol.

Molecular Properties

Compound Name7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol
PubChem CID90034725
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol
SMILESCC1(C)CNC2=C1C=CC(F)C2(O)c1ccccc1N
InChIInChI=1S/C16H19FN2O/c1-15(2)9-19-14-11(15)7-8-13(17)16(14,20)10-5-3-4-6-12(10)18/h3-8,13,19-20H,9,18H2,1-2H3
InChIKeyPAUXEEIWMHHXQA-UHFFFAOYSA-N
XLogP2.25
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol?
The IUPAC name of 7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol (CID 90034725) is 7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol.
What is the SMILES notation for 7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol?
The canonical SMILES for 7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol is CC1(C)CNC2=C1C=CC(F)C2(O)c1ccccc1N.
What is the InChIKey of 7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol?
The InChIKey is PAUXEEIWMHHXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-15(2)9-19-14-11(15)7-8-13(17)16(14,20)10-5-3-4-6-12(10)18/h3-8,13,19-20H,9,18H2,1-2H3.
What are the key properties of 7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol?
7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol has a molecular weight of 274.34 g/mol, XLogP of 2.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminophenyl)-6-fluoro-3,3-dimethyl-2,6-dihydro-1H-indol-7-ol is sourced from PubChem (CID 90034725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).