2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine

C13H17BrN2 — CID 82502211

IUPAC2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
SMILESCNCCc1c(C)n(C)c2ccc(Br)cc12
InChIInChI=1S/C13H17BrN2/c1-9-11(6-7-15-2)12-8-10(14)4-5-13(12)16(9)3/h4-5,8,15H,6-7H2,1-3H3
InChIKeyNQFAGJIWPPXOMU-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.01
Rot. Bonds3

About 2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine

2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine (PubChem CID 82502211) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
PubChem CID82502211
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
SMILESCNCCc1c(C)n(C)c2ccc(Br)cc12
InChIInChI=1S/C13H17BrN2/c1-9-11(6-7-15-2)12-8-10(14)4-5-13(12)16(9)3/h4-5,8,15H,6-7H2,1-3H3
InChIKeyNQFAGJIWPPXOMU-UHFFFAOYSA-N
XLogP3.01
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine 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

4-(5-bromo-1,2-dimethylindol-3-yl)butan-2-one
CID 82502307
2-(5-bromo-1,2-dimethylindol-3-yl)acetamide
CID 82502196
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 82495215
1-(5-bromo-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83866982
2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine
CID 112540938
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82501546
2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine
CID 84642807
1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
CID 82494517
N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82498244
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82501198
2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
CID 84645258
2-[6-bromo-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylethanamine
CID 84645826

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine (CID 82502211) is 2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine is CNCCc1c(C)n(C)c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine?
The InChIKey is NQFAGJIWPPXOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-9-11(6-7-15-2)12-8-10(14)4-5-13(12)16(9)3/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine?
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine has a molecular weight of 281.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 82502211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).