2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline

C16H14BrFN2 — CID 63505809

IUPAC2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
SMILESFc1ccc2ccn(CCNc3ccccc3Br)c2c1
InChIInChI=1S/C16H14BrFN2/c17-14-3-1-2-4-15(14)19-8-10-20-9-7-12-5-6-13(18)11-16(12)20/h1-7,9,11,19H,8,10H2
InChIKeyZEBNBDUYBZPVPZ-UHFFFAOYSA-N
MW333.20 g/mol
LogP4.66
Rot. Bonds4

About 2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline

2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline (PubChem CID 63505809) has the molecular formula C16H14BrFN2 and a molecular weight of 333.20 g/mol. Its IUPAC name is 2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
PubChem CID63505809
Molecular FormulaC16H14BrFN2
Molecular Weight333.20 g/mol
Exact Mass332.03
IUPAC Name2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
SMILESFc1ccc2ccn(CCNc3ccccc3Br)c2c1
InChIInChI=1S/C16H14BrFN2/c17-14-3-1-2-4-15(14)19-8-10-20-9-7-12-5-6-13(18)11-16(12)20/h1-7,9,11,19H,8,10H2
InChIKeyZEBNBDUYBZPVPZ-UHFFFAOYSA-N
XLogP4.66
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline 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 2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline?
The IUPAC name of 2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline (CID 63505809) is 2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline is Fc1ccc2ccn(CCNc3ccccc3Br)c2c1.
What is the InChIKey of 2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline?
The InChIKey is ZEBNBDUYBZPVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2/c17-14-3-1-2-4-15(14)19-8-10-20-9-7-12-5-6-13(18)11-16(12)20/h1-7,9,11,19H,8,10H2.
What are the key properties of 2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline?
2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline has a molecular weight of 333.20 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline is sourced from PubChem (CID 63505809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).