CAS 3246-03-5

1 2D Structure

CAS 3246-03-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzyl-2-(2-methoxyphenoxy)ethanamine

2.1.2 InChI

InChI=1S/C16H19NO2/c1-18-15-9-5-6-10-16(15)19-12-11-17-13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3

2.1.3 InChI Key

SZDYRZVWNVIYGO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC=C1OCCNCC2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

J896QS59IK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3246-03-5

2. N-benzyl-2-(2-methoxyphenoxy)ethanamine

3. Skf-106025

4. N-[2-(2-methoxyphenoxy)ethyl]benzyl Amine

5. J896qs59ik

6. Skf 106025

7. Benzenemethanamine, N-(2-(2-methoxyphenoxy)ethyl)-

8. Benzyl[2-(2-methoxyphenoxy)ethyl]amine

9. Unii-j896qs59ik

10. Schembl2909008

11. Dtxsid80186199

12. Zinc20275093

13. Akos005294685

14. Sb82060

15. Benzyl-[2-(2-methoxy-phenoxy)-ethyl]-amine

16. Ft-0671321

17. Q27281347

18. Z86155779

2.4 Create Date

2006-10-28

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₉NO₂
Molecular Weight	257.33 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	257.141578849 g/mol
Monoisotopic Mass	257.141578849 g/mol
Topological Polar Surface Area	30.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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