1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine

C11H12BrClN2 — CID 84643740

IUPAC1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine
SMILESCNCc1c(Br)c2ccc(Cl)cc2n1C
InChIInChI=1S/C11H12BrClN2/c1-14-6-10-11(12)8-4-3-7(13)5-9(8)15(10)2/h3-5,14H,6H2,1-2H3
InChIKeySELYJCJAZJGCGO-UHFFFAOYSA-N
MW287.59 g/mol
LogP3.31
Rot. Bonds2

About 1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine

1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine (PubChem CID 84643740) has the molecular formula C11H12BrClN2 and a molecular weight of 287.59 g/mol. Its IUPAC name is 1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine
PubChem CID84643740
Molecular FormulaC11H12BrClN2
Molecular Weight287.59 g/mol
Exact Mass285.99
IUPAC Name1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine
SMILESCNCc1c(Br)c2ccc(Cl)cc2n1C
InChIInChI=1S/C11H12BrClN2/c1-14-6-10-11(12)8-4-3-7(13)5-9(8)15(10)2/h3-5,14H,6H2,1-2H3
InChIKeySELYJCJAZJGCGO-UHFFFAOYSA-N
XLogP3.31
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine (CID 84643740) is 1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine is CNCc1c(Br)c2ccc(Cl)cc2n1C.
What is the InChIKey of 1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine?
The InChIKey is SELYJCJAZJGCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2/c1-14-6-10-11(12)8-4-3-7(13)5-9(8)15(10)2/h3-5,14H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine?
1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine has a molecular weight of 287.59 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84643740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).