1-[(4-bromophenyl)methyl]-2,3-dihydroindole

C15H14BrN — CID 22199835

IUPAC1-[(4-bromophenyl)methyl]-2,3-dihydroindole
SMILESBrc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C15H14BrN/c16-14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2
InChIKeyGXWJKJJFMSUMPS-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.01
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-2,3-dihydroindole

1-[(4-bromophenyl)methyl]-2,3-dihydroindole (PubChem CID 22199835) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2,3-dihydroindole
PubChem CID22199835
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name1-[(4-bromophenyl)methyl]-2,3-dihydroindole
SMILESBrc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C15H14BrN/c16-14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2
InChIKeyGXWJKJJFMSUMPS-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

[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-trimethylsilane
CID 103438257
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole
CID 55027487
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 43375648
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,3-dihydroindole
CID 154074412
1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662471
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde
CID 115107244

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2,3-dihydroindole (CID 22199835) is 1-[(4-bromophenyl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2,3-dihydroindole is Brc1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2,3-dihydroindole?
The InChIKey is GXWJKJJFMSUMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-2,3-dihydroindole?
1-[(4-bromophenyl)methyl]-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-[(4-bromophenyl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 22199835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).