1-[(3-bromophenyl)methyl]indole

C15H12BrN — CID 22256844

IUPAC1-[(3-bromophenyl)methyl]indole
SMILESBrc1cccc(Cn2ccc3ccccc32)c1
InChIInChI=1S/C15H12BrN/c16-14-6-3-4-12(10-14)11-17-9-8-13-5-1-2-7-15(13)17/h1-10H,11H2
InChIKeyAGZGNBKYNXRARJ-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.45
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]indole

1-[(3-bromophenyl)methyl]indole (PubChem CID 22256844) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]indole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]indole
PubChem CID22256844
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name1-[(3-bromophenyl)methyl]indole
SMILESBrc1cccc(Cn2ccc3ccccc32)c1
InChIInChI=1S/C15H12BrN/c16-14-6-3-4-12(10-14)11-17-9-8-13-5-1-2-7-15(13)17/h1-10H,11H2
InChIKeyAGZGNBKYNXRARJ-UHFFFAOYSA-N
XLogP4.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
CID 102917946
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 116619723
1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole
CID 83165323
1-[(3-bromophenyl)methyl]-2-chloropyrrole
CID 141433576
1-[(1-methylpyridin-1-ium-4-yl)methyl]indole
CID 71418458
3-benzyl-1-[(3-bromophenyl)methyl]pyrimidine-2,4-dione
CID 166190063
4-(indol-1-ylmethyl)-N-methylpyridin-2-amine
CID 141153764
1-[(2,6-difluorophenyl)methyl]indole
CID 22256904
2-(indol-1-ylmethyl)benzene-1,3-diamine
CID 141087878

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]indole?
The IUPAC name of 1-[(3-bromophenyl)methyl]indole (CID 22256844) is 1-[(3-bromophenyl)methyl]indole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]indole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]indole is Brc1cccc(Cn2ccc3ccccc32)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]indole?
The InChIKey is AGZGNBKYNXRARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN/c16-14-6-3-4-12(10-14)11-17-9-8-13-5-1-2-7-15(13)17/h1-10H,11H2.
What are the key properties of 1-[(3-bromophenyl)methyl]indole?
1-[(3-bromophenyl)methyl]indole has a molecular weight of 286.17 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]indole is sourced from PubChem (CID 22256844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).