2-(3-Fluoro-4-methoxyphenyl)ethylamine - CAS 458-40-2

Catalog:	BB025989
Product Name:	2-(3-Fluoro-4-methoxyphenyl)ethylamine
CAS:	458-40-2
Synonyms:	2-(3-fluoro-4-methoxyphenyl)ethanamine; 2-(3-fluoro-4-methoxyphenyl)ethanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(3-fluoro-4-methoxyphenyl)ethanamine
Description:	2-(3-Fluoro-4-methoxyphenyl)ethylamine (CAS# 458-40-2) is a useful research chemical.
Molecular Weight:	169.20
Molecular Formula:	C9H12FNO
Canonical SMILES:	COC1=C(C=C(C=C1)CCN)F
InChI:	InChI=1S/C9H12FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChI Key:	QIVBJMNUDCAJED-UHFFFAOYSA-N
LogP:	2.03580

Publication Number	Title	Priority Date
WO-2021095032-A1	Glucose uptake inhibitors and uses thereof	20191113
WO-2021018858-A1	6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer	20190729
EP-3814356-A1	Triazolotriazine derivatives as a2a receptor antagonists	20180626
WO-2019200120-A1	Dihydroisoquinoline-2(1h)-carboxamide and related compounds and their use in treating medical conditions	20180411
US-2021139484-A1	Dihydroisoquinoline-2(1h)-carboxamide and related compounds and their use in treating medical conditions	20180411

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Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.090292168
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.090292168
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9