1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-5-methoxy-N-[(1R)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

2.1.2 InChI

InChI=1S/C19H23NO/c1-14(15-7-4-3-5-8-15)20-17-11-12-18-16(13-17)9-6-10-19(18)21-2/h3-10,14,17,20H,11-13H2,1-2H3/t14-,17+/m1/s1

2.1.3 InChI Key

ISFQNSHQPOQJNB-PBHICJAKSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1403690-99-2

2. (2s)-5-methoxy-n-[(1r)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

3. Starbld0000765

4. Schembl15471628

5. Mfcd31630719

6. Akos037651003

7. Cs-15683

8. Cs-0028371

9. D72008

10. (2s)-5-methoxy-n-[(1r)-1-phenylethyl]tetralin-2-amine

11. (s)-5-methoxy-n-((r)-1-phenylethyl)-1,2,3,4-tetrahydronaphth

2.3 Create Date

2014-03-24

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₃NO
Molecular Weight	281.4 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	21.3
Heavy Atom Count	21
Formal Charge	0
Complexity	313
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 1403690-99-2