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84541-55-9 | 2-(4-methoxy-5-methyl-2-propan-2-yl-phenoxy)-N-methyl-N-(2-phenoxyethyl)ethanamine hydrochloride
CAS No: 84541-55-9 Catalog No: AG004RAB MDL No:
Product Description
Catalog Number:
AG004RAB
Chemical Name:
2-(4-methoxy-5-methyl-2-propan-2-yl-phenoxy)-N-methyl-N-(2-phenoxyethyl)ethanamine hydrochloride
CAS Number:
84541-55-9
Molecular Formula:
C22H32ClNO3
Molecular Weight:
393.9474
IUPAC Name:
N-[2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)ethyl]-N-methyl-2-phenoxyethanamine;hydrochloride
InChI:
InChI=1S/C22H31NO3.ClH/c1-17(2)20-16-21(24-5)18(3)15-22(20)26-14-12-23(4)11-13-25-19-9-7-6-8-10-19;/h6-10,15-17H,11-14H2,1-5H3;1H
InChI Key:
VOUNXYPSPKLVDW-UHFFFAOYSA-N
SMILES:
COc1cc(C(C)C)c(cc1C)OCCN(CCOc1ccccc1)C.Cl
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.207g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.952g/mol
Monoisotopic Mass:
393.207g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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