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Chemistry

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Also known as: 115290-81-8, (1r)-3-(methylamino)-1-phenylpropan-1-ol, (r)-3-(methylamino)-1-phenylpropanol, Destolyl atomoxetine, Benzenemethanol, alpha-[2-(methylamino)ethyl]-, (alphar)-, Starbld0019046
Molecular Formula
C10H15NO
Molecular Weight
165.23  g/mol
InChI Key
XXSDCGNHLFVSET-SNVBAGLBSA-N

115290-81-8
1 2D Structure

115290-81-8

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 Weight 165.23 g/mol
Molecular Formula C10H15NO
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area32.3
Heavy Atom Count12
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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