2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine

C12H15BrN2 — CID 84640405

IUPAC2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine
SMILESCc1ccc(C)c2c(Br)c(CCN)[nH]c12
InChIInChI=1S/C12H15BrN2/c1-7-3-4-8(2)12-10(7)11(13)9(15-12)5-6-14/h3-4,15H,5-6,14H2,1-2H3
InChIKeyIGJMJDTUIJZKFQ-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.05
Rot. Bonds2

About 2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine

2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine (PubChem CID 84640405) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine
PubChem CID84640405
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine
SMILESCc1ccc(C)c2c(Br)c(CCN)[nH]c12
InChIInChI=1S/C12H15BrN2/c1-7-3-4-8(2)12-10(7)11(13)9(15-12)5-6-14/h3-4,15H,5-6,14H2,1-2H3
InChIKeyIGJMJDTUIJZKFQ-UHFFFAOYSA-N
XLogP3.05
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine 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

3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82393603
2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride
CID 18702258
2-(3-bromo-7-chloro-1H-indol-2-yl)ethanamine
CID 84641985
2-bromo-3,4,7-trimethyl-1H-indole
CID 84629053
N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine
CID 84622477
6-(2-aminoethyl)-2-bromo-3-methylphenol
CID 84693265
2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371
2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine
CID 130048518
5-(2-aminoethyl)-4-methyl-1H-pyrrole-2-carboxylic acid
CID 83873741
2-[4-bromo-3-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 84610792
2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine
CID 115052687

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine (CID 84640405) is 2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine is Cc1ccc(C)c2c(Br)c(CCN)[nH]c12.
What is the InChIKey of 2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine?
The InChIKey is IGJMJDTUIJZKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-7-3-4-8(2)12-10(7)11(13)9(15-12)5-6-14/h3-4,15H,5-6,14H2,1-2H3.
What are the key properties of 2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine?
2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine has a molecular weight of 267.17 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 84640405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).