2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine

C13H16BrClN2O — CID 84646347

IUPAC2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
SMILESCNCCc1c(Br)c2cc(OC)c(Cl)cc2n1C
InChIInChI=1S/C13H16BrClN2O/c1-16-5-4-10-13(14)8-6-12(18-3)9(15)7-11(8)17(10)2/h6-7,16H,4-5H2,1-3H3
InChIKeyRYCLQJCVBSPTBS-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.36
Rot. Bonds4

About 2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine

2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine (PubChem CID 84646347) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
PubChem CID84646347
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
SMILESCNCCc1c(Br)c2cc(OC)c(Cl)cc2n1C
InChIInChI=1S/C13H16BrClN2O/c1-16-5-4-10-13(14)8-6-12(18-3)9(15)7-11(8)17(10)2/h6-7,16H,4-5H2,1-3H3
InChIKeyRYCLQJCVBSPTBS-UHFFFAOYSA-N
XLogP3.36
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-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

2-(6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634763
2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine
CID 84642807
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634780
1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine
CID 84643740
2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
CID 96675794
2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 84628695
3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one
CID 84640262
2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117465308
2-(7-methoxy-1,5-dimethylindol-2-yl)-N-methylethanamine
CID 84627085
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine (CID 84646347) is 2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine is CNCCc1c(Br)c2cc(OC)c(Cl)cc2n1C.
What is the InChIKey of 2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine?
The InChIKey is RYCLQJCVBSPTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-16-5-4-10-13(14)8-6-12(18-3)9(15)7-11(8)17(10)2/h6-7,16H,4-5H2,1-3H3.
What are the key properties of 2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine?
2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine has a molecular weight of 331.64 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84646347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).