4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine

C10H12FN — CID 54775831

IUPAC4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(F)cccc21
InChIInChI=1S/C10H12FN/c1-12-10-6-5-7-8(10)3-2-4-9(7)11/h2-4,10,12H,5-6H2,1H3
InChIKeyIUOQQOTZXJNEJR-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.03
Rot. Bonds1

About 4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 54775831) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID54775831
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(F)cccc21
InChIInChI=1S/C10H12FN/c1-12-10-6-5-7-8(10)3-2-4-9(7)11/h2-4,10,12H,5-6H2,1H3
InChIKeyIUOQQOTZXJNEJR-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 54775831) is 4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IUOQQOTZXJNEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-12-10-6-5-7-8(10)3-2-4-9(7)11/h2-4,10,12H,5-6H2,1H3.
What are the key properties of 4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 165.21 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 54775831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).