CAS 138113-09-4

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Chemistry

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Also known as: 138113-09-4, 2-(7-methoxy-1-naphthyl)ethanamine, 1-naphthaleneethanamine, 7-methoxy-, 2-(7-methoxy-1-naphthyl)ethylamine, 2-(7-methoxynaphthalen-1-yl)ethan-1-amine, Schembl124465

Molecular Formula

C₁₃H₁₅NO

Molecular Weight

201.26 g/mol

InChI Key

YXDUMIVUPSVYLB-UHFFFAOYSA-N

1 2D Structure

CAS 138113-09-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(7-methoxynaphthalen-1-yl)ethanamine

2.1.2 InChI

InChI=1S/C13H15NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7-8,14H2,1H3

2.1.3 InChI Key

YXDUMIVUPSVYLB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=C(C=CC=C2CCN)C=C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 138113-09-4

2. 2-(7-methoxy-1-naphthyl)ethanamine

3. 1-naphthaleneethanamine, 7-methoxy-

4. 2-(7-methoxy-1-naphthyl)ethylamine

5. 2-(7-methoxynaphthalen-1-yl)ethan-1-amine

6. Schembl124465

7. Amy9191

8. Dtxsid00453436

9. 7-methoxynaphthalene-1-ethanamine

10. (7-methoxy-1-naphthyl)ethyl Amine

11. Bcp15348

12. 2-(7-methoxynaphth-1-yl)ethylamine

13. Mfcd09744147

14. Zinc34619184

15. Akos015998974

16. 2-(7-methoxynaphthalen-1-yl)ethylamine

17. Ts-01498

18. 2-(7-methoxy-naphthalen-1-yl)-ethylamine

19. Db-063232

20. Cs-0445795

21. Ft-0743448

22. E84643

23. A886311

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₅NO
Molecular Weight	201.26 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	201.115364102 g/mol
Monoisotopic Mass	201.115364102 g/mol
Topological Polar Surface Area	35.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	195
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