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115600-83-4 | 1-Butanamine, N-methyl-4-(2-naphthalenyloxy)-
CAS No: 115600-83-4 Catalog No: AG000G8S MDL No:
Product Description
Catalog Number:
AG000G8S
Chemical Name:
1-Butanamine, N-methyl-4-(2-naphthalenyloxy)-
CAS Number:
115600-83-4
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
IUPAC Name:
N-methyl-4-naphthalen-2-yloxybutan-1-amine
InChI:
InChI=1S/C15H19NO/c1-16-10-4-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12,16H,4-5,10-11H2,1H3
InChI Key:
BGNPKSJMUHXEOF-UHFFFAOYSA-N
SMILES:
CNCCCCOc1ccc2c(c1)cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Duloxetine (Cymbalta), a dual inhibitor of serotonin and norepinephrine reuptake. | Bioorganic & medicinal chemistry letters 20031215 |
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