[2-(2-Fluorophenyl)ethyl]methylamine - CAS 485404-58-8

Catalog:	BB026547
Product Name:	[2-(2-Fluorophenyl)ethyl]methylamine
CAS:	485404-58-8
Synonyms:	2-(2-fluorophenyl)-N-methylethanamine; 2-(2-fluorophenyl)-N-methylethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-(2-fluorophenyl)-N-methylethanamine
Description:	[2-(2-Fluorophenyl)ethyl]methylamine (CAS# 485404-58-8) is a useful research chemical.
Molecular Weight:	153.20
Molecular Formula:	C9H12FN
Canonical SMILES:	CNCCC1=CC=CC=C1F
InChI:	InChI=1S/C9H12FN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,11H,6-7H2,1H3
InChI Key:	VGGRQNLAMNVBOA-UHFFFAOYSA-N
Boiling Point:	203.514 °C at 760 mmHg
Density:	1.009 g/cm³
MDL:	MFCD10568166
LogP:	1.97850

Publication Number	Title	Priority Date
WO-2021072203-A1	Tgfbetar1 inhibitor-asgr antibody conjugates and uses thereof	20191009
WO-2021011834-A1	Alk5 inhibitors, conjugates, and uses thereof	20190716
WO-2019242689-A1	Cyano-substituted pyridine and cyano-substituted pyrimidine compound, and preparation method and application thereof	20180622
US-9169240-B2	Ketone linked benzothiazole inhibitors of endothelial lipase	20120911
WO-2014042939-A1	Ketone linked benzothiazole inhibitors of endothelial lipase	20120911

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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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9