4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine

C15H14BrFN2 — CID 66112257

IUPAC4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Br)c(F)cc1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H14BrFN2/c16-12-7-14(18)15(8-13(12)17)19-11-5-4-9-2-1-3-10(9)6-11/h4-8,19H,1-3,18H2
InChIKeyDECUIBXWCWEKQG-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.40
Rot. Bonds2

About 4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine

4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine (PubChem CID 66112257) has the molecular formula C15H14BrFN2 and a molecular weight of 321.19 g/mol. Its IUPAC name is 4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine
PubChem CID66112257
Molecular FormulaC15H14BrFN2
Molecular Weight321.19 g/mol
Exact Mass320.03
IUPAC Name4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(Br)c(F)cc1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H14BrFN2/c16-12-7-14(18)15(8-13(12)17)19-11-5-4-9-2-1-3-10(9)6-11/h4-8,19H,1-3,18H2
InChIKeyDECUIBXWCWEKQG-UHFFFAOYSA-N
XLogP4.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine (CID 66112257) is 4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine is Nc1cc(Br)c(F)cc1Nc1ccc2c(c1)CCC2.
What is the InChIKey of 4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine?
The InChIKey is DECUIBXWCWEKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2/c16-12-7-14(18)15(8-13(12)17)19-11-5-4-9-2-1-3-10(9)6-11/h4-8,19H,1-3,18H2.
What are the key properties of 4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine?
4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine has a molecular weight of 321.19 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 66112257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).