5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

C11H14FNO — CID 126986909

IUPAC5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(F)c(OC)cc21
InChIInChI=1S/C11H14FNO/c1-13-10-4-3-7-5-9(12)11(14-2)6-8(7)10/h5-6,10,13H,3-4H2,1-2H3
InChIKeyOAHOPKZABZWKOC-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.04
Rot. Bonds2

About 5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 126986909) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID126986909
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(F)c(OC)cc21
InChIInChI=1S/C11H14FNO/c1-13-10-4-3-7-5-9(12)11(14-2)6-8(7)10/h5-6,10,13H,3-4H2,1-2H3
InChIKeyOAHOPKZABZWKOC-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 126986909) is 5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2cc(F)c(OC)cc21.
What is the InChIKey of 5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OAHOPKZABZWKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-13-10-4-3-7-5-9(12)11(14-2)6-8(7)10/h5-6,10,13H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 195.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126986909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).