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

C12H15BrFN — CID 61383412

IUPAC6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c(F)cc(Br)cc21
InChIInChI=1S/C12H15BrFN/c1-2-5-15-12-4-3-9-10(12)6-8(13)7-11(9)14/h6-7,12,15H,2-5H2,1H3
InChIKeyBDNVFAMTVHDQRD-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.58
Rot. Bonds3

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

6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 61383412) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID61383412
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c(F)cc(Br)cc21
InChIInChI=1S/C12H15BrFN/c1-2-5-15-12-4-3-9-10(12)6-8(13)7-11(9)14/h6-7,12,15H,2-5H2,1H3
InChIKeyBDNVFAMTVHDQRD-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.58
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-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 61383412) is 6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1CCc2c(F)cc(Br)cc21.
What is the InChIKey of 6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BDNVFAMTVHDQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-2-5-15-12-4-3-9-10(12)6-8(13)7-11(9)14/h6-7,12,15H,2-5H2,1H3.
What are the key properties of 6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine?
6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.58, 3 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-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 61383412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).