1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine

C11H13BrN2 — CID 84634869

IUPAC1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine
SMILESCNCc1[nH]c2c(C)cccc2c1Br
InChIInChI=1S/C11H13BrN2/c1-7-4-3-5-8-10(12)9(6-13-2)14-11(7)8/h3-5,13-14H,6H2,1-2H3
InChIKeyWYHMRRLBQLLWBP-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.96
Rot. Bonds2

About 1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine

1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine (PubChem CID 84634869) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine
PubChem CID84634869
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine
SMILESCNCc1[nH]c2c(C)cccc2c1Br
InChIInChI=1S/C11H13BrN2/c1-7-4-3-5-8-10(12)9(6-13-2)14-11(7)8/h3-5,13-14H,6H2,1-2H3
InChIKeyWYHMRRLBQLLWBP-UHFFFAOYSA-N
XLogP2.96
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine 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

1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine
CID 84641981
N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine
CID 83859630
1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine
CID 84640380
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
2-(3,7-dimethyl-1H-indol-2-yl)acetaldehyde
CID 112710904
N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335557
4,8-dimethyl-1H-quinoline-2-thione
CID 2118128
(3-bromo-7-chloro-1H-indol-2-yl)methanol
CID 115048681
1-(2,6-dimethylphenyl)-N-methylmethanamine;molecular hydrogen
CID 171631907
2-(3-bromo-7-chloro-1H-indol-2-yl)ethanamine
CID 84641985
4-amino-8-methyl-1H-quinolin-2-one
CID 14627645
6-methyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18937674

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine (CID 84634869) is 1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine is CNCc1[nH]c2c(C)cccc2c1Br.
What is the InChIKey of 1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine?
The InChIKey is WYHMRRLBQLLWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-7-4-3-5-8-10(12)9(6-13-2)14-11(7)8/h3-5,13-14H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine?
1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine has a molecular weight of 253.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84634869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).