N-Ethyl-4-methoxybenzylamine - CAS 22993-76-6

Catalog:	BB017851
Product Name:	N-Ethyl-4-methoxybenzylamine
CAS:	22993-76-6
Synonyms:	N-[(4-methoxyphenyl)methyl]ethanamine; N-[(4-methoxyphenyl)methyl]ethanamine

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Computed Properties

IUPAC Name:	N-[(4-methoxyphenyl)methyl]ethanamine
Description:	N-Ethyl-4-methoxybenzylamine (CAS# 22993-76-6) is a compound useful in organic synthesis.
Molecular Weight:	165.23
Molecular Formula:	C10H15NO
Canonical SMILES:	CCNCC1=CC=C(C=C1)OC
InChI:	InChI=1S/C10H15NO/c1-3-11-8-9-4-6-10(12-2)7-5-9/h4-7,11H,3,8H2,1-2H3
InChI Key:	SYGACMXWLAQEPN-UHFFFAOYSA-N
Boiling Point:	241.1 °C at 760 mmHg
Density:	0.963 g/cm³
Appearance:	Pale-yellow to yellow-brown liquid
LogP:	2.19560

Publication Number	Title	Priority Date
WO-2021198956-A1	Compounds active towards nuclear receptors	20200331
US-2021147383-A1	Compounds useful as inhibitors of helios protein	20191119
WO-2021101919-A1	Compounds useful as inhibitors of helios protein	20191119
US-2020407327-A1	Tead inhibitors and uses thereof	20190531
WO-2020243415-A2	Tead inhibitors and uses thereof	20190531

PMID	Publication Date	Title	Journal
6433022	19840901	Benzylamines: synthesis and evaluation of antimycobacterial properties	Journal of medicinal chemistry

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Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.115364102
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.115364102
Rotatable Bond Count:	4
Topological Polar Surface Area:	21.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7