1-[4-(bromomethyl)phenyl]-2,3-dihydroindole

C15H14BrN — CID 107079450

IUPAC1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
SMILESBrCc1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C15H14BrN/c16-11-12-5-7-14(8-6-12)17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2
InChIKeySNBZIRYNDDNOIX-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.28
Rot. Bonds2

About 1-[4-(bromomethyl)phenyl]-2,3-dihydroindole

1-[4-(bromomethyl)phenyl]-2,3-dihydroindole (PubChem CID 107079450) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-[4-(bromomethyl)phenyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
PubChem CID107079450
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
SMILESBrCc1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C15H14BrN/c16-11-12-5-7-14(8-6-12)17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2
InChIKeySNBZIRYNDDNOIX-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole
CID 107079443
1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline
CID 28946417
1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole
CID 59549688
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
3-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]propan-1-amine
CID 82304536
1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole
CID 23471143
1-(3,5-dimethylphenyl)-2,3-dihydroindole
CID 91512599
1-(3,5-dichlorophenyl)-2,3-dihydroindole
CID 110455009
1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole
CID 59231417
4-(2,3-dihydroindol-1-yl)benzenecarboximidamide;hydrochloride
CID 47002856
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56553200
N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
CID 112986213

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)phenyl]-2,3-dihydroindole?
The IUPAC name of 1-[4-(bromomethyl)phenyl]-2,3-dihydroindole (CID 107079450) is 1-[4-(bromomethyl)phenyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(bromomethyl)phenyl]-2,3-dihydroindole?
The canonical SMILES for 1-[4-(bromomethyl)phenyl]-2,3-dihydroindole is BrCc1ccc(N2CCc3ccccc32)cc1.
What is the InChIKey of 1-[4-(bromomethyl)phenyl]-2,3-dihydroindole?
The InChIKey is SNBZIRYNDDNOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-11-12-5-7-14(8-6-12)17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2.
What are the key properties of 1-[4-(bromomethyl)phenyl]-2,3-dihydroindole?
1-[4-(bromomethyl)phenyl]-2,3-dihydroindole has a molecular weight of 288.19 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)phenyl]-2,3-dihydroindole is sourced from PubChem (CID 107079450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).