1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol

C13H18FNO2 — CID 58950903

IUPAC1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol
SMILESCOc1c(F)ccc2c1C(O)(CN)C(C)(C)C2
InChIInChI=1S/C13H18FNO2/c1-12(2)6-8-4-5-9(14)11(17-3)10(8)13(12,16)7-15/h4-5,16H,6-7,15H2,1-3H3
InChIKeyKIUDJSYWLGLUIO-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.56
Rot. Bonds2

About 1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol

1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol (PubChem CID 58950903) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol
PubChem CID58950903
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol
SMILESCOc1c(F)ccc2c1C(O)(CN)C(C)(C)C2
InChIInChI=1S/C13H18FNO2/c1-12(2)6-8-4-5-9(14)11(17-3)10(8)13(12,16)7-15/h4-5,16H,6-7,15H2,1-3H3
InChIKeyKIUDJSYWLGLUIO-UHFFFAOYSA-N
XLogP1.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
The IUPAC name of 1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol (CID 58950903) is 1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol.
What is the SMILES notation for 1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
The canonical SMILES for 1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol is COc1c(F)ccc2c1C(O)(CN)C(C)(C)C2.
What is the InChIKey of 1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
The InChIKey is KIUDJSYWLGLUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-12(2)6-8-4-5-9(14)11(17-3)10(8)13(12,16)7-15/h4-5,16H,6-7,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol has a molecular weight of 239.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol is sourced from PubChem (CID 58950903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).