1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine

C13H14FN — CID 53472250

IUPAC1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
SMILESC#CCN(C)C1Cc2ccccc2C1[18F]
InChIInChI=1S/C13H14FN/c1-3-8-15(2)12-9-10-6-4-5-7-11(10)13(12)14/h1,4-7,12-13H,8-9H2,2H3/i14-1
InChIKeyJTKFBIGFZYNSFT-UMSOTBISSA-N
MW202.26 g/mol
LogP2.19
Rot. Bonds2

About 1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine

1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 53472250) has the molecular formula C13H14FN and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
PubChem CID53472250
Molecular FormulaC13H14FN
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
SMILESC#CCN(C)C1Cc2ccccc2C1[18F]
InChIInChI=1S/C13H14FN/c1-3-8-15(2)12-9-10-6-4-5-7-11(10)13(12)14/h1,4-7,12-13H,8-9H2,2H3/i14-1
InChIKeyJTKFBIGFZYNSFT-UMSOTBISSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine (CID 53472250) is 1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine is C#CCN(C)C1Cc2ccccc2C1[18F].
What is the InChIKey of 1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is JTKFBIGFZYNSFT-UMSOTBISSA-N. The full InChI is InChI=1S/C13H14FN/c1-3-8-15(2)12-9-10-6-4-5-7-11(10)13(12)14/h1,4-7,12-13H,8-9H2,2H3/i14-1.
What are the key properties of 1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine?
1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 202.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 53472250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).