N-(1-Methyl-2-phenoxyethyl)benzylamine - CAS 59182-23-9

Catalog:	BB059490
Product Name:	N-(1-Methyl-2-phenoxyethyl)benzylamine
CAS:	59182-23-9
Synonyms:	N-(1-Methyl-2-phenoxyethyl)benzenemethanamine

Technical Data

IUPAC Name:	N-benzyl-1-phenoxypropan-2-amine
Description:	N-(1-Methyl-2-phenoxyethyl)benzylamine is used as a reagent to synthesize benzenesulfonamide derivatives with α- and β-adrenergic antagonistic and antihypertensive activities.
Molecular Weight:	241.33
Molecular Formula:	C16H19NO
Canonical SMILES:	CC(COC1=CC=CC=C1)NCC2=CC=CC=C2
InChI:	InChI=1S/C16H19NO/c1-14(13-18-16-10-6-3-7-11-16)17-12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3
InChI Key:	NALYHQULUSZTJF-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly )
Appearance:	Clear Colorless to Clear Yellow Oil
Storage:	Refrigerator
References:	Fujikura, T., et al. Chem. Pharm. Bull., 30, 4092 (1982).

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.14666423
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	241.14666423
Rotatable Bond Count:	6
Topological Polar Surface Area:	21.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4