6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine

C11H13BrFN — CID 79725398

IUPAC6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(Br)cc(F)c2CC1C
InChIInChI=1S/C11H13BrFN/c1-6-3-8-9(11(6)14-2)4-7(12)5-10(8)13/h4-6,11,14H,3H2,1-2H3
InChIKeyMIQAGIPWDCKJFR-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.04
Rot. Bonds1

About 6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine

6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79725398) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79725398
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(Br)cc(F)c2CC1C
InChIInChI=1S/C11H13BrFN/c1-6-3-8-9(11(6)14-2)4-7(12)5-10(8)13/h4-6,11,14H,3H2,1-2H3
InChIKeyMIQAGIPWDCKJFR-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 79725398) is 6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine is CNC1c2cc(Br)cc(F)c2CC1C.
What is the InChIKey of 6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MIQAGIPWDCKJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-6-3-8-9(11(6)14-2)4-7(12)5-10(8)13/h4-6,11,14H,3H2,1-2H3.
What are the key properties of 6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine?
6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 258.13 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79725398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).