1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R)-3-(methylamino)-1-phenylpropan-1-ol

2.1.2 InChI

InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-/m1/s1

2.1.3 InChI Key

XXSDCGNHLFVSET-SNVBAGLBSA-N

2.1.4 Canonical SMILES

CNCCC(C1=CC=CC=C1)O

2.1.5 Isomeric SMILES

CNCC[C@H](C1=CC=CC=C1)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 115290-81-8

2. (1r)-3-(methylamino)-1-phenylpropan-1-ol

3. (r)-3-(methylamino)-1-phenylpropanol

4. Destolyl Atomoxetine

5. Benzenemethanol, Alpha-[2-(methylamino)ethyl]-, (alphar)-

6. Starbld0019046

7. (r)-3-methylamino-1-phenyl-propan-1-ol

8. Schembl1201340

9. Xxsdcgnhlfvset-snvbaglbsa-n

10. Akos006272678

11. Akos015851057

12. Ac-5330

13. (r)-3-methylamino-1-phenyl-1-propanol

14. (3r)-methyl-3-hydroxy-3-phenylpropylamine

15. (r)-n-methyl-3-phenyl-3-hydroxypropylamine

16. Db-001116

17. A2361

18. (r)-n-methyl-3-phenyl-3-hydroxy-propylamine

19. En300-141240

20. F75914

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅NO
Molecular Weight	165.23 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	32.3
Heavy Atom Count	12
Formal Charge	0
Complexity	110
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

115290-81-8