1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine

C16H13BrFN — CID 79880125

IUPAC1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine
SMILESNc1ccc2c(c1)CCC2=Cc1cc(F)ccc1Br
InChIInChI=1S/C16H13BrFN/c17-16-6-3-13(18)8-12(16)7-10-1-2-11-9-14(19)4-5-15(10)11/h3-9H,1-2,19H2
InChIKeyRFJHIEBCXXGQDR-UHFFFAOYSA-N
MW318.19 g/mol
LogP4.66
Rot. Bonds1

About 1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine

1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine (PubChem CID 79880125) has the molecular formula C16H13BrFN and a molecular weight of 318.19 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine
PubChem CID79880125
Molecular FormulaC16H13BrFN
Molecular Weight318.19 g/mol
Exact Mass317.02
IUPAC Name1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine
SMILESNc1ccc2c(c1)CCC2=Cc1cc(F)ccc1Br
InChIInChI=1S/C16H13BrFN/c17-16-6-3-13(18)8-12(16)7-10-1-2-11-9-14(19)4-5-15(10)11/h3-9H,1-2,19H2
InChIKeyRFJHIEBCXXGQDR-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine (CID 79880125) is 1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine is Nc1ccc2c(c1)CCC2=Cc1cc(F)ccc1Br.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine?
The InChIKey is RFJHIEBCXXGQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN/c17-16-6-3-13(18)8-12(16)7-10-1-2-11-9-14(19)4-5-15(10)11/h3-9H,1-2,19H2.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine?
1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine has a molecular weight of 318.19 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methylidene]-2,3-dihydroinden-5-amine is sourced from PubChem (CID 79880125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).