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

C11H14FN — CID 172576256

IUPAC5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(F)c(C)cc21
InChIInChI=1S/C11H14FN/c1-7-5-9-8(6-10(7)12)3-4-11(9)13-2/h5-6,11,13H,3-4H2,1-2H3
InChIKeyUPAGAYJISHQZTN-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.34
Rot. Bonds1

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

5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 172576256) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID172576256
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(F)c(C)cc21
InChIInChI=1S/C11H14FN/c1-7-5-9-8(6-10(7)12)3-4-11(9)13-2/h5-6,11,13H,3-4H2,1-2H3
InChIKeyUPAGAYJISHQZTN-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 172576256) is 5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2cc(F)c(C)cc21.
What is the InChIKey of 5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UPAGAYJISHQZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-7-5-9-8(6-10(7)12)3-4-11(9)13-2/h5-6,11,13H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 172576256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).