1-benzyl-5-bromo-2,3-dihydroindole

C15H14BrN — CID 11011653

IUPAC1-benzyl-5-bromo-2,3-dihydroindole
SMILESBrc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C15H14BrN/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyFDXGXZGDUAEFEU-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.01
Rot. Bonds2

About 1-benzyl-5-bromo-2,3-dihydroindole

1-benzyl-5-bromo-2,3-dihydroindole (PubChem CID 11011653) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-benzyl-5-bromo-2,3-dihydroindole.

Molecular Properties

Compound Name1-benzyl-5-bromo-2,3-dihydroindole
PubChem CID11011653
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name1-benzyl-5-bromo-2,3-dihydroindole
SMILESBrc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C15H14BrN/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyFDXGXZGDUAEFEU-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromoindoline
CID 3411566
n,n-Dibenzyl-4-bromoaniline
CID 285423
1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one
CID 721847
5-Bromo-2-(3-methylphenyl)isoindoline
CID 900123
(2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole
CID 40815975
(2R)-5-bromo-2-methyl-2,3-dihydro-1H-indole
CID 11984031
5-bromo-1-methyl-2,3-dihydro-1H-indole
CID 19361435
4-Bromo-N,2-diethylaniline
CID 23053415
5-bromo-3,3-dimethyl-2,3-dihydro-1H-indole
CID 11183719
5-bromo-7-fluoro-2,3-dihydro-1H-indole
CID 16792689
5'-Bromo-1',2'-dihydrospiro(cyclopentane-1,3'-indole)
CID 54593900
5-bromo-1-(phenylacetyl)-2,3-dihydro-1H-indole
CID 66824105

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromo-2,3-dihydroindole?
The IUPAC name of 1-benzyl-5-bromo-2,3-dihydroindole (CID 11011653) is 1-benzyl-5-bromo-2,3-dihydroindole.
What is the SMILES notation for 1-benzyl-5-bromo-2,3-dihydroindole?
The canonical SMILES for 1-benzyl-5-bromo-2,3-dihydroindole is Brc1ccc2c(c1)CCN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-bromo-2,3-dihydroindole?
The InChIKey is FDXGXZGDUAEFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of 1-benzyl-5-bromo-2,3-dihydroindole?
1-benzyl-5-bromo-2,3-dihydroindole has a molecular weight of 288.19 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-bromo-2,3-dihydroindole is sourced from PubChem (CID 11011653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).