5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine

C16H15BrFN — CID 63423019

IUPAC5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(NC2CCc3cc(Br)ccc32)cc1F
InChIInChI=1S/C16H15BrFN/c1-10-2-5-13(9-15(10)18)19-16-7-3-11-8-12(17)4-6-14(11)16/h2,4-6,8-9,16,19H,3,7H2,1H3
InChIKeyLEHRSEZBLQSWIZ-UHFFFAOYSA-N
MW320.21 g/mol
LogP5.00
Rot. Bonds2

About 5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 63423019) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID63423019
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC Name5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(NC2CCc3cc(Br)ccc32)cc1F
InChIInChI=1S/C16H15BrFN/c1-10-2-5-13(9-15(10)18)19-16-7-3-11-8-12(17)4-6-14(11)16/h2,4-6,8-9,16,19H,3,7H2,1H3
InChIKeyLEHRSEZBLQSWIZ-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 63423019) is 5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine is Cc1ccc(NC2CCc3cc(Br)ccc32)cc1F.
What is the InChIKey of 5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LEHRSEZBLQSWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c1-10-2-5-13(9-15(10)18)19-16-7-3-11-8-12(17)4-6-14(11)16/h2,4-6,8-9,16,19H,3,7H2,1H3.
What are the key properties of 5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 320.21 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63423019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).