2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole

C15H14BrN — CID 65041795

IUPAC2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole
SMILESBrc1cccc(CC2Cc3ccccc3N2)c1
InChIInChI=1S/C15H14BrN/c16-13-6-3-4-11(8-13)9-14-10-12-5-1-2-7-15(12)17-14/h1-8,14,17H,9-10H2
InChIKeyGECWEYHMPVJIHK-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.03
Rot. Bonds2

About 2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole

2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole (PubChem CID 65041795) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole
PubChem CID65041795
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole
SMILESBrc1cccc(CC2Cc3ccccc3N2)c1
InChIInChI=1S/C15H14BrN/c16-13-6-3-4-11(8-13)9-14-10-12-5-1-2-7-15(12)17-14/h1-8,14,17H,9-10H2
InChIKeyGECWEYHMPVJIHK-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole
CID 65041975
2-[(3-bromophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104079
2-[4-[3-(2,3-dihydro-1H-indol-2-ylmethyl)phenyl]phenyl]ethanol
CID 69178546
(1S,10R,12S)-12-[(3-bromophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 10043805
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
2-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole
CID 65042265
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 80567476
2-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104442
2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106777861

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole (CID 65041795) is 2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole is Brc1cccc(CC2Cc3ccccc3N2)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is GECWEYHMPVJIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-13-6-3-4-11(8-13)9-14-10-12-5-1-2-7-15(12)17-14/h1-8,14,17H,9-10H2.
What are the key properties of 2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole?
2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 288.19 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 65041795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).