3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole

C14H17BrN2 — CID 117473095

IUPAC3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole
SMILESCn1cc(Br)c2ccc(CC3CCCN3)cc21
InChIInChI=1S/C14H17BrN2/c1-17-9-13(15)12-5-4-10(8-14(12)17)7-11-3-2-6-16-11/h4-5,8-9,11,16H,2-3,6-7H2,1H3
InChIKeyUAJOOILPYICHKZ-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.24
Rot. Bonds2

About 3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole

3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole (PubChem CID 117473095) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole.

Molecular Properties

Compound Name3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole
PubChem CID117473095
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole
SMILESCn1cc(Br)c2ccc(CC3CCCN3)cc21
InChIInChI=1S/C14H17BrN2/c1-17-9-13(15)12-5-4-10(8-14(12)17)7-11-3-2-6-16-11/h4-5,8-9,11,16H,2-3,6-7H2,1H3
InChIKeyUAJOOILPYICHKZ-UHFFFAOYSA-N
XLogP3.24
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-[[3-bromo-4-(1-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117461346
3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole
CID 117449482
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine
CID 117442925
2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117474628
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
1-methyl-4-[[4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperazine
CID 117436736
1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one
CID 117431510
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole?
The IUPAC name of 3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole (CID 117473095) is 3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole.
What is the SMILES notation for 3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole?
The canonical SMILES for 3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole is Cn1cc(Br)c2ccc(CC3CCCN3)cc21.
What is the InChIKey of 3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole?
The InChIKey is UAJOOILPYICHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-17-9-13(15)12-5-4-10(8-14(12)17)7-11-3-2-6-16-11/h4-5,8-9,11,16H,2-3,6-7H2,1H3.
What are the key properties of 3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole?
3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole has a molecular weight of 293.21 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-6-(pyrrolidin-2-ylmethyl)indole is sourced from PubChem (CID 117473095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).