(7-bromo-6-methyl-1H-indol-3-yl)methanamine

C10H11BrN2 — CID 130049517

IUPAC(7-bromo-6-methyl-1H-indol-3-yl)methanamine
SMILESCc1ccc2c(CN)c[nH]c2c1Br
InChIInChI=1S/C10H11BrN2/c1-6-2-3-8-7(4-12)5-13-10(8)9(6)11/h2-3,5,13H,4,12H2,1H3
InChIKeyWCLJFZMJHINXEL-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.70
Rot. Bonds1

About (7-bromo-6-methyl-1H-indol-3-yl)methanamine

(7-bromo-6-methyl-1H-indol-3-yl)methanamine (PubChem CID 130049517) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is (7-bromo-6-methyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-6-methyl-1H-indol-3-yl)methanamine
PubChem CID130049517
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name(7-bromo-6-methyl-1H-indol-3-yl)methanamine
SMILESCc1ccc2c(CN)c[nH]c2c1Br
InChIInChI=1S/C10H11BrN2/c1-6-2-3-8-7(4-12)5-13-10(8)9(6)11/h2-3,5,13H,4,12H2,1H3
InChIKeyWCLJFZMJHINXEL-UHFFFAOYSA-N
XLogP2.70
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-6-methyl-1H-indol-3-yl)methanamine?
The IUPAC name of (7-bromo-6-methyl-1H-indol-3-yl)methanamine (CID 130049517) is (7-bromo-6-methyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for (7-bromo-6-methyl-1H-indol-3-yl)methanamine?
The canonical SMILES for (7-bromo-6-methyl-1H-indol-3-yl)methanamine is Cc1ccc2c(CN)c[nH]c2c1Br.
What is the InChIKey of (7-bromo-6-methyl-1H-indol-3-yl)methanamine?
The InChIKey is WCLJFZMJHINXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-6-2-3-8-7(4-12)5-13-10(8)9(6)11/h2-3,5,13H,4,12H2,1H3.
What are the key properties of (7-bromo-6-methyl-1H-indol-3-yl)methanamine?
(7-bromo-6-methyl-1H-indol-3-yl)methanamine has a molecular weight of 239.12 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-6-methyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 130049517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).