N-Methyl-2-(3-fluorophenyl)ethanamine - CAS 515137-48-1

Catalog:	BB027467
Product Name:	N-Methyl-2-(3-fluorophenyl)ethanamine
CAS:	515137-48-1
Synonyms:	2-(3-fluorophenyl)-N-methylethanamine; 2-(3-fluorophenyl)-N-methylethanamine

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Computed Properties

IUPAC Name:	2-(3-fluorophenyl)-N-methylethanamine
Description:	N-Methyl-2-(3-fluorophenyl)ethanamine (CAS# 515137-48-1) is a useful research chemical.
Molecular Weight:	153.20
Molecular Formula:	C9H12FN
Canonical SMILES:	CNCCC1=CC(=CC=C1)F
InChI:	InChI=1S/C9H12FN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3
InChI Key:	RDKFMYLRDJVSJU-UHFFFAOYSA-N
Boiling Point:	200.959 °C at 760 mmHg
Density:	1.009 g/cm³
LogP:	1.97850

Publication Number	Title	Priority Date
WO-2021072203-A1	Tgfbetar1 inhibitor-asgr antibody conjugates and uses thereof	20191009
WO-2021011778-A1	Small molecule inhibitors of ku70/80 and uses thereof	20190716
WO-2021011834-A1	Alk5 inhibitors, conjugates, and uses thereof	20190716
WO-2019170086-A1	Acyl-substituted oxazino-quinazoline compound, preparation method therefor, and uses thereof	20180306
US-2016122302-A1	Mammalian and Bacterial Nitric Oxide Synthase Inhibitors	20141104

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:	153.095377549
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.095377549
Rotatable Bond Count:	3
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9