2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine

C17H18BrClN2 — CID 83233282

IUPAC2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(Cc2ccc(Cl)c(Br)c2)c2ccccc21
InChIInChI=1S/C17H18BrClN2/c18-15-9-12(5-6-16(15)19)10-21-11-13(7-8-20)14-3-1-2-4-17(14)21/h1-6,9,13H,7-8,10-11,20H2
InChIKeyBMCBPVIZYWWTMA-UHFFFAOYSA-N
MW365.70 g/mol
LogP4.56
Rot. Bonds4

About 2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine

2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 83233282) has the molecular formula C17H18BrClN2 and a molecular weight of 365.70 g/mol. Its IUPAC name is 2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
PubChem CID83233282
Molecular FormulaC17H18BrClN2
Molecular Weight365.70 g/mol
Exact Mass364.03
IUPAC Name2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(Cc2ccc(Cl)c(Br)c2)c2ccccc21
InChIInChI=1S/C17H18BrClN2/c18-15-9-12(5-6-16(15)19)10-21-11-13(7-8-20)14-3-1-2-4-17(14)21/h1-6,9,13H,7-8,10-11,20H2
InChIKeyBMCBPVIZYWWTMA-UHFFFAOYSA-N
XLogP4.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.70
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine 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-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine (CID 83233282) is 2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine is NCCC1CN(Cc2ccc(Cl)c(Br)c2)c2ccccc21.
What is the InChIKey of 2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is BMCBPVIZYWWTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2/c18-15-9-12(5-6-16(15)19)10-21-11-13(7-8-20)14-3-1-2-4-17(14)21/h1-6,9,13H,7-8,10-11,20H2.
What are the key properties of 2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 365.70 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 83233282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).