2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine

C16H16BrFN2 — CID 43173934

IUPAC2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine
SMILESNCC(c1ccc(Br)cc1F)N1CCc2ccccc21
InChIInChI=1S/C16H16BrFN2/c17-12-5-6-13(14(18)9-12)16(10-19)20-8-7-11-3-1-2-4-15(11)20/h1-6,9,16H,7-8,10,19H2
InChIKeyZDUMZYGPWYKMMH-UHFFFAOYSA-N
MW335.22 g/mol
LogP3.65
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine

2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine (PubChem CID 43173934) has the molecular formula C16H16BrFN2 and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine
PubChem CID43173934
Molecular FormulaC16H16BrFN2
Molecular Weight335.22 g/mol
Exact Mass334.05
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine
SMILESNCC(c1ccc(Br)cc1F)N1CCc2ccccc21
InChIInChI=1S/C16H16BrFN2/c17-12-5-6-13(14(18)9-12)16(10-19)20-8-7-11-3-1-2-4-15(11)20/h1-6,9,16H,7-8,10,19H2
InChIKeyZDUMZYGPWYKMMH-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 43364591
2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 43180447
2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine
CID 16791029
2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 16793061
1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole
CID 55027487
2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 43364603
2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine
CID 43327440
2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62123532
2-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531943
2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494492
2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 106885883
1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 60644856

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine (CID 43173934) is 2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine is NCC(c1ccc(Br)cc1F)N1CCc2ccccc21.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine?
The InChIKey is ZDUMZYGPWYKMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2/c17-12-5-6-13(14(18)9-12)16(10-19)20-8-7-11-3-1-2-4-15(11)20/h1-6,9,16H,7-8,10,19H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine?
2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine has a molecular weight of 335.22 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 43173934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).