3-[(4-bromophenyl)methyl]-4-methyl-1H-indole

C16H14BrN — CID 118021326

IUPAC3-[(4-bromophenyl)methyl]-4-methyl-1H-indole
SMILESCc1cccc2[nH]cc(Cc3ccc(Br)cc3)c12
InChIInChI=1S/C16H14BrN/c1-11-3-2-4-15-16(11)13(10-18-15)9-12-5-7-14(17)8-6-12/h2-8,10,18H,9H2,1H3
InChIKeyFSDOTIZFSMPWDN-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.83
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-4-methyl-1H-indole

3-[(4-bromophenyl)methyl]-4-methyl-1H-indole (PubChem CID 118021326) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-4-methyl-1H-indole.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-4-methyl-1H-indole
PubChem CID118021326
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Name3-[(4-bromophenyl)methyl]-4-methyl-1H-indole
SMILESCc1cccc2[nH]cc(Cc3ccc(Br)cc3)c12
InChIInChI=1S/C16H14BrN/c1-11-3-2-4-15-16(11)13(10-18-15)9-12-5-7-14(17)8-6-12/h2-8,10,18H,9H2,1H3
InChIKeyFSDOTIZFSMPWDN-UHFFFAOYSA-N
XLogP4.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
CID 117194759
1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096
4-methyl-3-(methylsulfonylmethyl)-1H-indole
CID 117184546
3,4-dimethyl-1H-indole;ethane
CID 143293593
N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine
CID 117184532
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
4-bromo-3-methyl-1H-indole
CID 52987704
2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 119114359
ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836181
(2S)-2-azaniumyl-3-(4-methyl-1H-indol-3-yl)propanoate
CID 6951138
1-(4-methyl-1H-indol-3-yl)ethanamine
CID 82598720

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-4-methyl-1H-indole?
The IUPAC name of 3-[(4-bromophenyl)methyl]-4-methyl-1H-indole (CID 118021326) is 3-[(4-bromophenyl)methyl]-4-methyl-1H-indole.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-4-methyl-1H-indole?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-4-methyl-1H-indole is Cc1cccc2[nH]cc(Cc3ccc(Br)cc3)c12.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-4-methyl-1H-indole?
The InChIKey is FSDOTIZFSMPWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN/c1-11-3-2-4-15-16(11)13(10-18-15)9-12-5-7-14(17)8-6-12/h2-8,10,18H,9H2,1H3.
What are the key properties of 3-[(4-bromophenyl)methyl]-4-methyl-1H-indole?
3-[(4-bromophenyl)methyl]-4-methyl-1H-indole has a molecular weight of 300.20 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-4-methyl-1H-indole is sourced from PubChem (CID 118021326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).