2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine

C11H12BrClN2 — CID 3436060

IUPAC2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(Br)cc(Cl)cc2c1CCN
InChIInChI=1S/C11H12BrClN2/c1-6-8(2-3-14)9-4-7(13)5-10(12)11(9)15-6/h4-5,15H,2-3,14H2,1H3
InChIKeyOMLNZWZCVZXDFI-UHFFFAOYSA-N
MW287.59 g/mol
LogP3.39
Rot. Bonds2

About 2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine

2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 3436060) has the molecular formula C11H12BrClN2 and a molecular weight of 287.59 g/mol. Its IUPAC name is 2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID3436060
Molecular FormulaC11H12BrClN2
Molecular Weight287.59 g/mol
Exact Mass285.99
IUPAC Name2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(Br)cc(Cl)cc2c1CCN
InChIInChI=1S/C11H12BrClN2/c1-6-8(2-3-14)9-4-7(13)5-10(12)11(9)15-6/h4-5,15H,2-3,14H2,1H3
InChIKeyOMLNZWZCVZXDFI-UHFFFAOYSA-N
XLogP3.39
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.59
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine (CID 3436060) is 2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2c(Br)cc(Cl)cc2c1CCN.
What is the InChIKey of 2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is OMLNZWZCVZXDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2/c1-6-8(2-3-14)9-4-7(13)5-10(12)11(9)15-6/h4-5,15H,2-3,14H2,1H3.
What are the key properties of 2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine?
2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 287.59 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-5-chloro-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 3436060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).