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

C13H18FN — CID 62124896

IUPAC6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c(C)cc(F)cc21
InChIInChI=1S/C13H18FN/c1-3-6-15-13-5-4-11-9(2)7-10(14)8-12(11)13/h7-8,13,15H,3-6H2,1-2H3
InChIKeyGETKCSUHONWHKY-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.12
Rot. Bonds3

About 6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine

6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 62124896) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID62124896
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c(C)cc(F)cc21
InChIInChI=1S/C13H18FN/c1-3-6-15-13-5-4-11-9(2)7-10(14)8-12(11)13/h7-8,13,15H,3-6H2,1-2H3
InChIKeyGETKCSUHONWHKY-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 62124896) is 6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1CCc2c(C)cc(F)cc21.
What is the InChIKey of 6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GETKCSUHONWHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-3-6-15-13-5-4-11-9(2)7-10(14)8-12(11)13/h7-8,13,15H,3-6H2,1-2H3.
What are the key properties of 6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 62124896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).