5-Methoxy-2-Aminoindane

Synopsis, Chemistry

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Also known as: 73305-09-6, Meai, 2-amino-5-methoxyindan, Chaperon, 5-methoxy-2-aminoindane, 5-meo-ai

Molecular Formula

C₁₀H₁₃NO

Molecular Weight

163.22 g/mol

InChI Key

HLXHCNWEVQNNKA-UHFFFAOYSA-N

FDA UNII

AD8S15863A

1 2D Structure

5-Methoxy-2-Aminoindane

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methoxy-2,3-dihydro-1H-inden-2-amine

2.1.2 InChI

InChI=1S/C10H13NO/c1-12-10-3-2-7-4-9(11)5-8(7)6-10/h2-3,6,9H,4-5,11H2,1H3

2.1.3 InChI Key

HLXHCNWEVQNNKA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=C(CC(C2)N)C=C1

2.2 Other Identifiers

2.2.1 UNII

AD8S15863A

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 73305-09-6

2. Meai

3. 2-amino-5-methoxyindan

4. Chaperon

5. 5-methoxy-2-aminoindane

6. 5-meo-ai

7. 1h-inden-2-amine, 2,3-dihydro-5-methoxy-

8. 5-methoxyindan-2-ylamine

9. Ad8s15863a

10. 2,3-dihydro-5-methoxy-1h-inden-2-amine

11. 2-amino-5-methoxyindane

12. 5-methoxy-2-aminoindan

13. Schembl295336

14. Unii-ad8s15863a

15. 5-methoxyindan-2-amine

16. Dtxsid80478566

17. Amy19317

18. Mfcd08234971

19. Akos006284250

20. Ab43715

21. Sy290731

22. Db-058122

23. Ft-0683878

24. A853011

25. J-517674

26. Q21098822

27. 3 Inverted Exclamation Mark ,5 Inverted Exclamation Mark -di-o-tosylthymidine

2.4 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₃NO
Molecular Weight	163.22 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	163.099714038 g/mol
Monoisotopic Mass	163.099714038 g/mol
Topological Polar Surface Area	35.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1