N-Benzyl-3-methoxyaniline - CAS 90811-55-5

Catalog:	BB039959
Product Name:	N-Benzyl-3-methoxyaniline
CAS:	90811-55-5
Synonyms:	3-methoxy-N-(phenylmethyl)aniline; N-benzyl-3-methoxyaniline

Technical Data

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Computed Properties

IUPAC Name:	N-benzyl-3-methoxyaniline
Description:	N-Benzyl-3-methoxyaniline (CAS# 90811-55-5) is a useful research chemical.
Molecular Weight:	213.28
Molecular Formula:	C14H15NO
Canonical SMILES:	COC1=CC=CC(=C1)NCC2=CC=CC=C2
InChI:	InChI=1S/C14H15NO/c1-16-14-9-5-8-13(10-14)15-11-12-6-3-2-4-7-12/h2-10,15H,11H2,1H3
InChI Key:	IWXYQQZZRQBFKF-UHFFFAOYSA-N
LogP:	3.38030

Publication Number	Title	Priority Date
EP-3326715-A1	Oxalic acid monoamide ligand, and uses thereof in coupling reaction of copper-catalyzed aryl halogen substitute	20150720
US-10500577-B2	Oxalic amide ligands, and uses thereof in copper-catalyzed coupling reaction of aryl halides	20150720
US-2018207628-A1	Oxalic acid monoamide ligand, and uses thereof in coupling reaction of copper-catalyzed aryl halogen substitute	20150720
CN-104447354-A	Green method for preparing amine derivatives from alcohols and amines	20141202
CN-104447354-B	A kind of green method that amine derivative is prepared by alkohol and amine	20141202

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Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.115364102
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.115364102
Rotatable Bond Count:	4
Topological Polar Surface Area:	21.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1