4,6-Dichloro-2-methyl-1H-indole-3-ethanamine - CAS 299165-92-7

Catalog:	BB020379
Product Name:	4,6-Dichloro-2-methyl-1H-indole-3-ethanamine
CAS:	299165-92-7
Synonyms:	2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine; 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine
Description:	4,6-Dichloro-2-methyl-1H-indole-3-ethanamine (CAS# 299165-92-7) is a useful research chemical.
Molecular Weight:	243.13
Molecular Formula:	C11H12Cl2N2
Canonical SMILES:	CC1=C(C2=C(C=C(C=C2N1)Cl)Cl)CCN
InChI:	InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3
InChI Key:	JCTJISIFGZHOFY-UHFFFAOYSA-N
LogP:	3.98460

Publication Number	Title	Priority Date
WO-2021068867-A1	Combination therapy for cancers with kras mutation	20191009
WO-2021068868-A1	Combination therapy for cancers with kras mutation	20191009
US-2021002296-A1	Protein degraders and uses thereof	20180112
EP-3542824-A1	Ras PROTEIN DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION	20161115
US-2020000927-A1	Ras protein degradation inducing molecule and pharmaceutical composition	20161115

PMID	Publication Date	Title	Journal
22289164	20120701	Early cardiac dysfunction is rescued by upregulation of SERCA2a pump activity in a rat model of metabolic syndrome	Acta physiologica (Oxford, England)
11762603	20011101	Co-metabolic degradation of chlorinated hydrocarbons by Pseudomonas sp. strain DCA1	Applied microbiology and biotechnology

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Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.0377538
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	242.0377538
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3