3-bromo-2-fluoro-6-phenylaniline;ethane

C14H15BrFN — CID 156801929

IUPAC3-bromo-2-fluoro-6-phenylaniline;ethane
SMILESCC.Nc1c(-c2ccccc2)ccc(Br)c1F
InChIInChI=1S/C12H9BrFN.C2H6/c13-10-7-6-9(12(15)11(10)14)8-4-2-1-3-5-8;1-2/h1-7H,15H2;1-2H3
InChIKeyKFBYTOJLMSNJFO-UHFFFAOYSA-N
MW296.18 g/mol
LogP4.86
Rot. Bonds1

About 3-bromo-2-fluoro-6-phenylaniline;ethane

3-bromo-2-fluoro-6-phenylaniline;ethane (PubChem CID 156801929) has the molecular formula C14H15BrFN and a molecular weight of 296.18 g/mol. Its IUPAC name is 3-bromo-2-fluoro-6-phenylaniline;ethane.

Molecular Properties

Compound Name3-bromo-2-fluoro-6-phenylaniline;ethane
PubChem CID156801929
Molecular FormulaC14H15BrFN
Molecular Weight296.18 g/mol
Exact Mass295.04
IUPAC Name3-bromo-2-fluoro-6-phenylaniline;ethane
SMILESCC.Nc1c(-c2ccccc2)ccc(Br)c1F
InChIInChI=1S/C12H9BrFN.C2H6/c13-10-7-6-9(12(15)11(10)14)8-4-2-1-3-5-8;1-2/h1-7H,15H2;1-2H3
InChIKeyKFBYTOJLMSNJFO-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-2-fluoro-6-phenylaniline;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-6-phenylaniline;ethane?
The IUPAC name of 3-bromo-2-fluoro-6-phenylaniline;ethane (CID 156801929) is 3-bromo-2-fluoro-6-phenylaniline;ethane.
What is the SMILES notation for 3-bromo-2-fluoro-6-phenylaniline;ethane?
The canonical SMILES for 3-bromo-2-fluoro-6-phenylaniline;ethane is CC.Nc1c(-c2ccccc2)ccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-6-phenylaniline;ethane?
The InChIKey is KFBYTOJLMSNJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN.C2H6/c13-10-7-6-9(12(15)11(10)14)8-4-2-1-3-5-8;1-2/h1-7H,15H2;1-2H3.
What are the key properties of 3-bromo-2-fluoro-6-phenylaniline;ethane?
3-bromo-2-fluoro-6-phenylaniline;ethane has a molecular weight of 296.18 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-6-phenylaniline;ethane is sourced from PubChem (CID 156801929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).