2-(6-chloro-5-methyl-1H-indol-3-yl)ethanamine

HCID 66832155

Notes Reactions

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Basic information

Standard SMILES: Cc1cc2c(CCN)c[nH]c2cc1Cl
InChIKey: PIZGZBUHWRRIPL-UHFFFAOYSA-N
Molecular formula: C11H13ClN2
Average molar mass: 208.69 g/mol

Names & identifiers

Preferred name: 2-(6-chloro-5-methyl-1H-indol-3-yl)ethanamine
IUPAC: 2-(6-chloro-5-methyl-1H-indol-3-yl)ethanamine

Names & synonyms

2-(6-chloro-5-methyl-1H-indol-3-yl)ethanamineSCHEMBL893023PIZGZBUHWRRIPL-UHFFFAOYSA-N

Database identifiers

PubChem CID: 66832155

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 41.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 198

Related reactions

8 records

New reaction record

HRID 58633As productuspto-grants-2016_09

HRID 58760As reactantuspto-grants-2016_09

HRID 925317As productuspto-grants-2016_03

HRID 954702As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1777550As productuspto-grants-2016_02

HRID 1777678As reactantuspto-grants-2016_02

HRID 1918622As productuspto-grants-2013_12

HRID 1918750As reactantuspto-grants-2013_12

Compound notes

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