N-Methyl-3-chlorophenethylamine - CAS 52516-20-8

Catalog:	BB027855
Product Name:	N-Methyl-3-chlorophenethylamine
CAS:	52516-20-8
Synonyms:	2-(3-chlorophenyl)-N-methylethanamine; 2-(3-chlorophenyl)-N-methylethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-(3-chlorophenyl)-N-methylethanamine
Description:	N-Methyl-3-chlorophenethylamine (CAS# 52516-20-8) is a useful research chemical.
Molecular Weight:	169.65
Molecular Formula:	C9H12ClN
Canonical SMILES:	CNCCC1=CC(=CC=C1)Cl
InChI:	InChI=1S/C9H12ClN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3
InChI Key:	ZAIUACXHBBABJZ-UHFFFAOYSA-N
Boiling Point:	236.967 °C at 760 mmHg
Density:	1.063 g/cm³
MDL:	MFCD06738721
LogP:	2.49280

Publication Number	Title	Priority Date
WO-2021188620-A1	Peptidomimetic n5-methyl-n2-(nonanoyl-l-leucyl)-l-glutaminate derivatives, triazaspiro[4.14]nonadecane derivatives and similar compounds as inhibitors of norovirus and coronavirus replication	20200317
EP-3575287-A1	Inhibitors of n-acylphosphatidylethanolamine phospholipase d (nape-pld)	20180531
WO-2019161157-A1	P300/cbp hat inhibitors	20180216
EP-3016951-B1	Tricyclic pyrido-carboxamide derivatives as rock inhibitors	20130702
US-2016152628-A1	Tricyclic pyrido-carboxamide derivatives as rock inhibitors	20130702

PMID	Publication Date	Title	Journal
18602830	20080801	Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1	Bioorganic & medicinal chemistry

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Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0658271
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.0658271
Rotatable Bond Count:	3
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7